MiMeDB: Showing metabocard for Folic acid (MMDBc0000032)

Microbial

Human

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:27:53 UTC

Update Date

2024-09-27 22:51:55 UTC

Metabolite ID

MMDBc0000032

Metabolite Identification

Common Name

Folic acid

Description

Folic acid is a member of the vitamin B family that stimulates the hematopoietic system. It is present in the liver and kidney and is found in mushrooms, spinach, yeast, green leaves, and grasses (poaceae). Folic acid, being biochemically inactive, is converted to tetrahydrofolic acid and methyltetrahydrofolate by dihydrofolate reductase. These folic acid congeners are transported across cells by receptor-mediated endocytosis where they are needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids, methylated tRNA, and generate and use formate. Folic acid is used in the treatment and prevention of folate deficiencies and megaloblastic anemia. Folic acid is also a microbial metabolite produced by Bifidobacterium and Lactobacillus (PMID: 22254078 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

158
  Mrv1652305271900122D          

 32 34  0  0  1  0            999 V2000
   12.8598    0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9988    1.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1501   -1.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8502    2.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4213    2.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7180   -0.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -1.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -2.7322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309    0.2231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4277    1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1406    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2890   -0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1469   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343   -1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2922   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5730    0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374    2.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 17  2  0  0  0  0
  3 19  2  0  0  0  0
  4 27  1  0  0  0  0
  5 27  2  0  0  0  0
  6 31  2  0  0  0  0
 14  7  1  1  0  0  0
  7 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 26  1  0  0  0  0
  9 28  2  0  0  0  0
 10 29  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
M  END

HMDB0000121
     RDKit          3D
Folic acid
 51 53  0  0  0  0  0  0  0  0999 V2000
   10.4116   -1.4536    0.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241   -1.2491    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1885   -2.3168    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -2.1420   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061   -3.1171   -0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039   -0.8781   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925   -0.6790   -0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    0.5884   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.7870   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.4249    0.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.4016    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    0.0095    1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.0293    1.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    0.3242    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    0.2448    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451   -0.4496    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.9342   -0.6703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241    0.8388   -0.7155 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9198   -0.5491   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3177   -1.0072   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9998   -1.1219    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984   -1.0017    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3779   -1.3757    0.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1937    1.3884    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5640    1.5441    1.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482    1.7902    0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012    0.7160   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.7578   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357    1.6593   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    1.4714    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.2051    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537   -0.0373    0.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7824   -1.6825    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0461   -1.3738   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    0.1388   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8327   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    0.1859    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -0.2588    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.3311    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    1.5107   -1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8771    1.5599   -1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2775   -1.2611   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -0.6372   -2.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9247   -0.3188   -1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3356   -1.9989   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7184   -2.3352   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7636    2.7675    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    0.9959   -1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    1.0742   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    2.6567   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    0.7969    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 18 24  1  0
 24 25  2  0
 24 26  1  0
 14 27  1  0
 27 28  2  0
  8 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  2  1  0
 31  6  1  0
 28 11  1  0
  1 33  1  0
  1 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 17 40  1  0
 18 41  1  6
 19 42  1  0
 19 43  1  0
 20 44  1  0
 20 45  1  0
 23 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 32 51  1  0
M  END

158
  Mrv1652305271900122D          

 32 34  0  0  1  0            999 V2000
   12.8598    0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9988    1.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1501   -1.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8502    2.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4213    2.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7180   -0.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -1.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -2.7322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309    0.2231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4277    1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1406    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2890   -0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1469   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343   -1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2922   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5730    0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374    2.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 17  2  0  0  0  0
  3 19  2  0  0  0  0
  4 27  1  0  0  0  0
  5 27  2  0  0  0  0
  6 31  2  0  0  0  0
 14  7  1  1  0  0  0
  7 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 26  1  0  0  0  0
  9 28  2  0  0  0  0
 10 29  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000032

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1

> <INCHI_IDENTIFIER>
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

> <INCHI_KEY>
OVBPIULPVIDEAO-LBPRGKRZSA-N

> <FORMULA>
C19H19N7O6

> <MOLECULAR_WEIGHT>
441.3975

> <EXACT_MASS>
441.139681375

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
42.056565993428265

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

> <ALOGPS_LOGP>
-0.04

> <JCHEM_LOGP>
-0.682200202289524

> <ALOGPS_LOGS>
-3.76

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.173198454797142

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3738517754186743

> <JCHEM_PKA_STRONGEST_BASIC>
2.086519926687477

> <JCHEM_POLAR_SURFACE_AREA>
208.99000000000004

> <JCHEM_REFRACTIVITY>
111.01120000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.61e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
folate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000121
     RDKit          3D
Folic acid
 51 53  0  0  0  0  0  0  0  0999 V2000
   10.4116   -1.4536    0.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241   -1.2491    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1885   -2.3168    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -2.1420   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061   -3.1171   -0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039   -0.8781   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925   -0.6790   -0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    0.5884   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.7870   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.4249    0.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.4016    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    0.0095    1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.0293    1.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    0.3242    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    0.2448    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451   -0.4496    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.9342   -0.6703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241    0.8388   -0.7155 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9198   -0.5491   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3177   -1.0072   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9998   -1.1219    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984   -1.0017    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3779   -1.3757    0.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1937    1.3884    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5640    1.5441    1.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482    1.7902    0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012    0.7160   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.7578   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357    1.6593   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    1.4714    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.2051    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537   -0.0373    0.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7824   -1.6825    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0461   -1.3738   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    0.1388   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8327   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    0.1859    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -0.2588    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.3311    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    1.5107   -1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8771    1.5599   -1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2775   -1.2611   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -0.6372   -2.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9247   -0.3188   -1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3356   -1.9989   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7184   -2.3352   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7636    2.7675    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    0.9959   -1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    1.0742   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    2.6567   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    0.7969    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 18 24  1  0
 24 25  2  0
 24 26  1  0
 14 27  1  0
 27 28  2  0
  8 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  2  1  0
 31  6  1  0
 28 11  1  0
  1 33  1  0
  1 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 17 40  1  0
 18 41  1  6
 19 42  1  0
 19 43  1  0
 20 44  1  0
 20 45  1  0
 23 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 32 51  1  0
M  END

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 158                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0      24.005   0.427   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      18.664   1.946   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      22.680  -1.888   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      23.987   5.047   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      21.320   5.036   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       6.574  -0.427   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      20.007  -0.359   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      13.347  -2.694   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       9.285  -1.913   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       6.574  -5.047   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       9.285  -5.100   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       5.241  -2.737   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       3.907  -5.047   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      21.338   0.416   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.332   1.956   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      22.662   2.732   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      18.670   0.406   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.339  -0.369   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.674  -0.348   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.678  -1.919   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.011  -1.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.345  -1.909   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.003   0.396   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.015  -2.684   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.672  -0.379   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.680  -2.705   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      22.656   4.271   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.908  -2.737   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.908  -4.277   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.680  -4.309   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.574  -1.967   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.241  -4.277   0.000  0.00  0.00           C+0
CONECT    1   19                                                            
CONECT    2   17                                                            
CONECT    3   19                                                            
CONECT    4   27                                                            
CONECT    5   27                                                            
CONECT    6   31                                                            
CONECT    7   14   17                                                       
CONECT    8   20   21                                                       
CONECT    9   26   28                                                       
CONECT   10   29   32                                                       
CONECT   11   29   30                                                       
CONECT   12   31   32                                                       
CONECT   13   32                                                            
CONECT   14    7   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   27                                                       
CONECT   17    2    7   18                                                  
CONECT   18   17   22   23                                                  
CONECT   19    1    3   14                                                  
CONECT   20    8   24   25                                                  
CONECT   21    8   26                                                       
CONECT   22   18   24                                                       
CONECT   23   18   25                                                       
CONECT   24   20   22                                                       
CONECT   25   20   23                                                       
CONECT   26    9   21   30                                                  
CONECT   27    4    5   16                                                  
CONECT   28    9   29   31                                                  
CONECT   29   10   11   28                                                  
CONECT   30   11   26                                                       
CONECT   31    6   12   28                                                  
CONECT   32   10   12   13                                                  
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END

COMPND    HMDB0000121
HETATM    1  N1  UNL     1      10.412  -1.454   0.427  1.00  0.00           N  
HETATM    2  C1  UNL     1       9.024  -1.249   0.253  1.00  0.00           C  
HETATM    3  N2  UNL     1       8.188  -2.317   0.072  1.00  0.00           N  
HETATM    4  C2  UNL     1       6.871  -2.142  -0.096  1.00  0.00           C  
HETATM    5  O1  UNL     1       6.106  -3.117  -0.262  1.00  0.00           O  
HETATM    6  C3  UNL     1       6.304  -0.878  -0.093  1.00  0.00           C  
HETATM    7  N3  UNL     1       4.992  -0.679  -0.261  1.00  0.00           N  
HETATM    8  C4  UNL     1       4.493   0.588  -0.250  1.00  0.00           C  
HETATM    9  C5  UNL     1       3.013   0.787  -0.464  1.00  0.00           C  
HETATM   10  N4  UNL     1       2.246   0.425   0.692  1.00  0.00           N  
HETATM   11  C6  UNL     1       0.831   0.402   0.617  1.00  0.00           C  
HETATM   12  C7  UNL     1       0.042   0.009   1.674  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.326  -0.029   1.569  1.00  0.00           C  
HETATM   14  C9  UNL     1      -1.997   0.324   0.388  1.00  0.00           C  
HETATM   15  C10 UNL     1      -3.450   0.245   0.325  1.00  0.00           C  
HETATM   16  O2  UNL     1      -4.045  -0.450   1.175  1.00  0.00           O  
HETATM   17  N5  UNL     1      -4.153   0.934  -0.670  1.00  0.00           N  
HETATM   18  C11 UNL     1      -5.624   0.839  -0.715  1.00  0.00           C  
HETATM   19  C12 UNL     1      -5.920  -0.549  -1.139  1.00  0.00           C  
HETATM   20  C13 UNL     1      -7.318  -1.007  -1.231  1.00  0.00           C  
HETATM   21  C14 UNL     1      -8.000  -1.122   0.052  1.00  0.00           C  
HETATM   22  O3  UNL     1      -7.398  -1.002   1.136  1.00  0.00           O  
HETATM   23  O4  UNL     1      -9.378  -1.376   0.052  1.00  0.00           O  
HETATM   24  C15 UNL     1      -6.194   1.388   0.488  1.00  0.00           C  
HETATM   25  O5  UNL     1      -5.564   1.544   1.545  1.00  0.00           O  
HETATM   26  O6  UNL     1      -7.548   1.790   0.487  1.00  0.00           O  
HETATM   27  C16 UNL     1      -1.201   0.716  -0.662  1.00  0.00           C  
HETATM   28  C17 UNL     1       0.187   0.758  -0.559  1.00  0.00           C  
HETATM   29  C18 UNL     1       5.336   1.659  -0.066  1.00  0.00           C  
HETATM   30  N6  UNL     1       6.653   1.471   0.104  1.00  0.00           N  
HETATM   31  C19 UNL     1       7.138   0.205   0.090  1.00  0.00           C  
HETATM   32  N7  UNL     1       8.454  -0.037   0.253  1.00  0.00           N  
HETATM   33  H1  UNL     1      10.782  -1.683   1.357  1.00  0.00           H  
HETATM   34  H2  UNL     1      11.046  -1.374  -0.382  1.00  0.00           H  
HETATM   35  H3  UNL     1       2.783   0.139  -1.363  1.00  0.00           H  
HETATM   36  H4  UNL     1       2.808   1.833  -0.774  1.00  0.00           H  
HETATM   37  H5  UNL     1       2.724   0.186   1.574  1.00  0.00           H  
HETATM   38  H6  UNL     1       0.542  -0.259   2.580  1.00  0.00           H  
HETATM   39  H7  UNL     1      -1.931  -0.331   2.386  1.00  0.00           H  
HETATM   40  H8  UNL     1      -3.628   1.511  -1.381  1.00  0.00           H  
HETATM   41  H9  UNL     1      -5.877   1.560  -1.599  1.00  0.00           H  
HETATM   42  H10 UNL     1      -5.278  -1.261  -0.558  1.00  0.00           H  
HETATM   43  H11 UNL     1      -5.470  -0.637  -2.198  1.00  0.00           H  
HETATM   44  H12 UNL     1      -7.925  -0.319  -1.898  1.00  0.00           H  
HETATM   45  H13 UNL     1      -7.336  -1.999  -1.776  1.00  0.00           H  
HETATM   46  H14 UNL     1      -9.718  -2.335  -0.070  1.00  0.00           H  
HETATM   47  H15 UNL     1      -7.764   2.767   0.588  1.00  0.00           H  
HETATM   48  H16 UNL     1      -1.680   0.996  -1.583  1.00  0.00           H  
HETATM   49  H17 UNL     1       0.779   1.074  -1.410  1.00  0.00           H  
HETATM   50  H18 UNL     1       4.893   2.657  -0.063  1.00  0.00           H  
HETATM   51  H19 UNL     1       9.075   0.797   0.392  1.00  0.00           H  
CONECT    1    2   33   34
CONECT    2    3    3   32
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    7   31
CONECT    7    8
CONECT    8    9   29   29
CONECT    9   10   35   36
CONECT   10   11   37
CONECT   11   12   12   28
CONECT   12   13   38
CONECT   13   14   14   39
CONECT   14   15   27
CONECT   15   16   16   17
CONECT   17   18   40
CONECT   18   19   24   41
CONECT   19   20   42   43
CONECT   20   21   44   45
CONECT   21   22   22   23
CONECT   23   46
CONECT   24   25   25   26
CONECT   26   47
CONECT   27   28   28   48
CONECT   28   49
CONECT   29   30   50
CONECT   30   31   31
CONECT   31   32
CONECT   32   51
END

HMDB0000121
     RDKit          3D
Folic acid
 51 53  0  0  0  0  0  0  0  0999 V2000
   10.4116   -1.4536    0.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241   -1.2491    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1885   -2.3168    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -2.1420   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061   -3.1171   -0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039   -0.8781   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925   -0.6790   -0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    0.5884   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.7870   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.4249    0.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.4016    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    0.0095    1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.0293    1.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    0.3242    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    0.2448    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451   -0.4496    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.9342   -0.6703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241    0.8388   -0.7155 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9198   -0.5491   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3177   -1.0072   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9998   -1.1219    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984   -1.0017    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3779   -1.3757    0.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1937    1.3884    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5640    1.5441    1.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482    1.7902    0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012    0.7160   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.7578   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357    1.6593   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    1.4714    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.2051    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537   -0.0373    0.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7824   -1.6825    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0461   -1.3738   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    0.1388   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8327   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    0.1859    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -0.2588    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.3311    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    1.5107   -1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8771    1.5599   -1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2775   -1.2611   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -0.6372   -2.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9247   -0.3188   -1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3356   -1.9989   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7184   -2.3352   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7636    2.7675    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    0.9959   -1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    1.0742   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    2.6567   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    0.7969    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 18 24  1  0
 24 25  2  0
 24 26  1  0
 14 27  1  0
 27 28  2  0
  8 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  2  1  0
 31  6  1  0
 28 11  1  0
  1 33  1  0
  1 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 17 40  1  0
 18 41  1  6
 19 42  1  0
 19 43  1  0
 20 44  1  0
 20 45  1  0
 23 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 32 51  1  0
M  END

Synonyms

Value	Source
Folate	ChEBI
Folsaeure	ChEBI
N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid	ChEBI
N-Pteroyl-L-glutamic acid	ChEBI
PGA	ChEBI
PteGlu	ChEBI
Pteroyl-L-glutamic acid	ChEBI
Pteroyl-L-monoglutamic acid	ChEBI
Pteroylglutamic acid	ChEBI
Vitamin BC	ChEBI
Vitamin m	ChEBI
Folicet	Kegg
N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamate	Generator
N-Pteroyl-L-glutamate	Generator
Pteroyl-L-glutamate	Generator
Pteroyl-L-monoglutamate	Generator
Pteroylglutamate	Generator
Acifolic	HMDB
Cytofol	HMDB
Dosfolat b activ	HMDB
Folacid	HMDB
Folacin	HMDB
Folbal	HMDB
Folcidin	HMDB
Foldine	HMDB
Folettes	HMDB
Foliamin	HMDB
Folipac	HMDB
Folsan	HMDB
Folsaure	HMDB
Folsav	HMDB
Folvite	HMDB
Incafolic	HMDB
Liver lactobacillus casei factor	HMDB
Millafol	HMDB
N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid	HMDB
N-[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid	HMDB
Pteroylmonoglutamic acid	HMDB
Vitamin be	HMDB
Folic acid, (DL)-isomer	HMDB
Folic acid, sodium salt	HMDB
Folic acid, (D)-isomer	HMDB
Folic acid, monosodium salt	HMDB
Folic acid, potassium salt	HMDB
b9, Vitamin	HMDB
Folic acid, calcium salt (1:1)	HMDB
Folic acid, monopotassium salt	HMDB
Vitamin b9	HMDB

Molecular Formula

C₁₉H₁₉N₇O₆

Average Mass

441.3975

Monoisotopic Mass

441.139681375

IUPAC Name

(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

Traditional Name

folate

CAS Registry Number

59-30-3

SMILES

NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1

InChI Identifier

InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

InChI Key

OVBPIULPVIDEAO-LBPRGKRZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Ether
Carboxylic acid
Organic oxygen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:545959 )
phenols (CHEBI:545959 )
monomethoxybenzene (CHEBI:545959 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.076 g/L	ALOGPS
logP	-0.04	ALOGPS
logP	-0.68	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	3.37	ChemAxon
pKa (Strongest Basic)	2.09	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	208.99 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	111.01 m³·mol⁻¹	ChemAxon
Polarizability	42.06 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-2249100000-5ad16461f6638538ea08	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00xr-4205390000-4152e24c68306bfe6554	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0006-0000900000-4208ea3c2f5d9026c19f	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-0006-0050900000-2c8ad037dc3b270765c4	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-0007-0090300000-ebdec84cbb7fe5afbc0b	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0007-0903600000-e5d91e4f2ab79d130b76	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-qTof , Positive	splash10-002b-0960000000-108d96993dc78f1e4b61	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-0007-0903600000-e5d91e4f2ab79d130b76	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-002b-0960000000-108d96993dc78f1e4b61	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-0002-0090000000-9e9a33bc590d0f801929	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-0aba-6940000000-f0b6076af9cb59413656	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 0V, Positive	splash10-0005-0090600010-5ef6e95b870cc0ebfeb8	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-0002-0190000000-2d1f624dc1d2d929527f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 90V, Negative	splash10-015c-9700000000-5a0aeec6b1c2bfddfdf1	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-0002-0090000000-b750c262ac740994e33a	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 0V, Positive	splash10-0005-0090600000-c0e3753ba3591c41d1db	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 75V, Negative	splash10-001i-3900000000-4d5187e4336ce6be5eb7	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-00b9-0910000000-b3bc3e8ccbba45c85e78	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-0002-0090000010-2c53d9aa251e75638183	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0000900000-7370828adb963cbb9246	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0000900000-3b979cd5ecd30ae0d2bf	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00bd-0544900000-aa9a130e2cf3dacfb954	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004j-0954100000-7be7eac442233b5d3bcf	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-1960000000-1950169762886f41b6ec	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0114900000-bff7f5f3d20dcd6a4494	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00r7-1249300000-e322ba8675bb922877a9	2016-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9652000000-8c87fa7172ed19a7eb27	2016-09-14	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0006-9410000000-7cba521e870757539424	2014-09-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)		2014-09-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 22.53 MHz, DMSO-d6, experimental)		2014-09-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	428.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	219.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	291.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	385.4
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	266.4
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	191.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	1100.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	696.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	386.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	136.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	255.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	149.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	89.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	416.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	424.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	56.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	227.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	979.3
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	657.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Folic acid_TMS_1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O	standard non polar	2025-10-23	1504.04
Gas Chromatography	Folic acid_TMS_2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1	standard non polar	2025-10-23	3034.28
Gas Chromatography	Folic acid_TMS_3	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1	standard non polar	2025-10-23	2064.43
Gas Chromatography	Folic acid_TMS_4	C[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	standard non polar	2025-10-23	2126.77
Gas Chromatography	Folic acid_TMS_5	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	standard non polar	2025-10-23	1814.62
Gas Chromatography	Folic acid_TMS_6	C[Si](C)(C)N1C(N)=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C21	standard non polar	2025-10-23	2138.58
Gas Chromatography	Folic acid_TMS_7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2032.54
Gas Chromatography	Folic acid_TMS_8	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2[NH]1	standard non polar	2025-10-23	2277.95
Gas Chromatography	Folic acid_TMS_9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1499.74
Gas Chromatography	Folic acid_TMS_10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O	standard non polar	2025-10-23	2632.85
Gas Chromatography	Folic acid_TMS_11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O	standard non polar	2025-10-23	1157.34
Gas Chromatography	Folic acid_TMS_12	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard non polar	2025-10-23	2530.29
Gas Chromatography	Folic acid_TMS_13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2361.1
Gas Chromatography	Folic acid_TMS_14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1	standard non polar	2025-10-23	1555.71
Gas Chromatography	Folic acid_TMS_15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1	standard non polar	2025-10-23	2601.01
Gas Chromatography	Folic acid_TMS_16	C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1)[Si](C)(C)C	standard non polar	2025-10-23	1906.81
Gas Chromatography	Folic acid_TMS_17	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard non polar	2025-10-23	1179.99
Gas Chromatography	Folic acid_TMS_18	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard non polar	2025-10-23	1667.5
Gas Chromatography	Folic acid_TMS_19	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	758.477
Gas Chromatography	Folic acid_TMS_20	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	standard non polar	2025-10-23	1434.58
Gas Chromatography	Folic acid_TMS_21	C[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	standard non polar	2025-10-23	940.182
Gas Chromatography	Folic acid_TMS_22	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	standard non polar	2025-10-23	1949.86
Gas Chromatography	Folic acid_TMS_23	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard non polar	2025-10-23	1597.79
Gas Chromatography	Folic acid_TMS_24	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1625.91
Gas Chromatography	Folic acid_TMS_25	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1423.42
Gas Chromatography	Folic acid_TMS_26	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2938.89
Gas Chromatography	Folic acid_TMS_27	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O	standard non polar	2025-10-23	2225.52
Gas Chromatography	Folic acid_TMS_28	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard non polar	2025-10-23	2152.34
Gas Chromatography	Folic acid_TMS_29	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard non polar	2025-10-23	2013.62
Gas Chromatography	Folic acid_TMS_30	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	2199.52
Gas Chromatography	Folic acid_TMS_31	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1953.88
Gas Chromatography	Folic acid_TMS_32	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	3366.56
Gas Chromatography	Folic acid_TMS_33	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	standard non polar	2025-10-23	3003.83
Gas Chromatography	Folic acid_TMS_34	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1	standard non polar	2025-10-23	805.062
Gas Chromatography	Folic acid_TMS_35	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard non polar	2025-10-23	1759.37
Gas Chromatography	Folic acid_TMS_36	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard non polar	2025-10-23	2533.99
Gas Chromatography	Folic acid_TMS_37	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	1368.05
Gas Chromatography	Folic acid_TMS_38	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1648.17
Gas Chromatography	Folic acid_TMS_39	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2710.08
Gas Chromatography	Folic acid_TMS_40	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	standard non polar	2025-10-23	1821.71
Gas Chromatography	Folic acid_TMS_41	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	standard non polar	2025-10-23	13.159
Gas Chromatography	Folic acid_TMS_42	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	standard non polar	2025-10-23	3280.93
Gas Chromatography	Folic acid_TMS_43	C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2120.38
Gas Chromatography	Folic acid_TMS_44	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard non polar	2025-10-23	2102.03
Gas Chromatography	Folic acid_TMS_45	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	2730.16
Gas Chromatography	Folic acid_TMS_46	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	2969.59
Gas Chromatography	Folic acid_TMS_47	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	standard non polar	2025-10-23	994.443
Gas Chromatography	Folic acid_TMS_48	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1765.54
Gas Chromatography	Folic acid_TMS_49	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard non polar	2025-10-23	2843.33
Gas Chromatography	Folic acid_TMS_50	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard non polar	2025-10-23	1368.93
Gas Chromatography	Folic acid_TMS_51	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	1094.83
Gas Chromatography	Folic acid_TMS_52	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1783.13
Gas Chromatography	Folic acid_TMS_53	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2161.8
Gas Chromatography	Folic acid_TMS_54	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2719.87
Gas Chromatography	Folic acid_TMS_55	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2588.16
Gas Chromatography	Folic acid_TMS_56	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O	standard non polar	2025-10-23	2881.71
Gas Chromatography	Folic acid_TMS_57	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O	standard non polar	2025-10-23	2279.67
Gas Chromatography	Folic acid_TMS_58	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard non polar	2025-10-23	2677.67
Gas Chromatography	Folic acid_TMS_59	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	1383.04
Gas Chromatography	Folic acid_TMS_60	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	1915.54
Gas Chromatography	Folic acid_TMS_61	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1760.65
Gas Chromatography	Folic acid_TMS_62	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1056.24
Gas Chromatography	Folic acid_TMS_63	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1	standard non polar	2025-10-23	3054.94
Gas Chromatography	Folic acid_TMS_64	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1	standard non polar	2025-10-23	1406.95
Gas Chromatography	Folic acid_TMS_65	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard non polar	2025-10-23	1760.27
Gas Chromatography	Folic acid_TMS_66	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	3181.86
Gas Chromatography	Folic acid_TMS_67	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	906.483
Gas Chromatography	Folic acid_TMS_68	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1052.72
Gas Chromatography	Folic acid_TMS_69	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	standard non polar	2025-10-23	1785.48
Gas Chromatography	Folic acid_TMS_70	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	standard non polar	2025-10-23	3159.38
Gas Chromatography	Folic acid_TMS_71	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	standard non polar	2025-10-23	1657.97
Gas Chromatography	Folic acid_TMS_72	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	1514.97
Gas Chromatography	Folic acid_TMS_73	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	3585.46
Gas Chromatography	Folic acid_TMS_74	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1641.32
Gas Chromatography	Folic acid_TMS_75	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	757.712
Gas Chromatography	Folic acid_TMS_76	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard non polar	2025-10-23	2524.16
Gas Chromatography	Folic acid_TMS_77	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	2061.99
Gas Chromatography	Folic acid_TMS_78	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	3147.41
Gas Chromatography	Folic acid_TMS_79	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2939.54
Gas Chromatography	Folic acid_TMS_80	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2840.02
Gas Chromatography	Folic acid_TMS_81	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2810.11
Gas Chromatography	Folic acid_TMS_82	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	standard non polar	2025-10-23	1793.82
Gas Chromatography	Folic acid_TMS_83	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	2324.21
Gas Chromatography	Folic acid_TMS_84	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	898.577
Gas Chromatography	Folic acid_TMS_85	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2066.41
Gas Chromatography	Folic acid_TMS_86	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	standard non polar	2025-10-23	1888.51
Gas Chromatography	Folic acid_TMS_87	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	1620.74
Gas Chromatography	Folic acid_TMS_88	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	standard non polar	2025-10-23	2121.16
Gas Chromatography	Folic acid_TMS_89	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1547.61
Gas Chromatography	Folic acid_TMS_90	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2170.11
Gas Chromatography	Folic acid_TMS_91	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1466.19
Gas Chromatography	Folic acid_TMS_92	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard non polar	2025-10-23	1408.12
Gas Chromatography	Folic acid_TMS_93	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	2452.39
Gas Chromatography	Folic acid_TMS_94	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard non polar	2025-10-23	1402.1
Gas Chromatography	Folic acid_TMS_1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O	standard polar	2025-10-23	2319.11
Gas Chromatography	Folic acid_TMS_2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1	standard polar	2025-10-23	1954.08
Gas Chromatography	Folic acid_TMS_3	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1	standard polar	2025-10-23	2298.8
Gas Chromatography	Folic acid_TMS_4	C[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	standard polar	2025-10-23	2581.58
Gas Chromatography	Folic acid_TMS_5	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	standard polar	2025-10-23	1252.76
Gas Chromatography	Folic acid_TMS_6	C[Si](C)(C)N1C(N)=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C21	standard polar	2025-10-23	538.298
Gas Chromatography	Folic acid_TMS_7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2213.0
Gas Chromatography	Folic acid_TMS_8	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2[NH]1	standard polar	2025-10-23	1302.68
Gas Chromatography	Folic acid_TMS_9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2453.16
Gas Chromatography	Folic acid_TMS_10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O	standard polar	2025-10-23	3312.73
Gas Chromatography	Folic acid_TMS_11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O	standard polar	2025-10-23	2862.59
Gas Chromatography	Folic acid_TMS_12	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard polar	2025-10-23	2330.69
Gas Chromatography	Folic acid_TMS_13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard polar	2025-10-23	3130.83
Gas Chromatography	Folic acid_TMS_14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1	standard polar	2025-10-23	3094.4
Gas Chromatography	Folic acid_TMS_15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1	standard polar	2025-10-23	2119.4
Gas Chromatography	Folic acid_TMS_16	C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1)[Si](C)(C)C	standard polar	2025-10-23	2728.23
Gas Chromatography	Folic acid_TMS_17	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard polar	2025-10-23	1761.97
Gas Chromatography	Folic acid_TMS_18	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard polar	2025-10-23	1172.24
Gas Chromatography	Folic acid_TMS_19	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	853.557
Gas Chromatography	Folic acid_TMS_20	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	standard polar	2025-10-23	3013.22
Gas Chromatography	Folic acid_TMS_21	C[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	standard polar	2025-10-23	1482.24
Gas Chromatography	Folic acid_TMS_22	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	standard polar	2025-10-23	980.258
Gas Chromatography	Folic acid_TMS_23	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard polar	2025-10-23	2882.04
Gas Chromatography	Folic acid_TMS_24	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard polar	2025-10-23	3715.72
Gas Chromatography	Folic acid_TMS_25	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3465.9
Gas Chromatography	Folic acid_TMS_26	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2133.42
Gas Chromatography	Folic acid_TMS_27	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O	standard polar	2025-10-23	1332.39
Gas Chromatography	Folic acid_TMS_28	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard polar	2025-10-23	1336.43
Gas Chromatography	Folic acid_TMS_29	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard polar	2025-10-23	2829.84
Gas Chromatography	Folic acid_TMS_30	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	3221.04
Gas Chromatography	Folic acid_TMS_31	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2930.76
Gas Chromatography	Folic acid_TMS_32	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	1872.62
Gas Chromatography	Folic acid_TMS_33	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	standard polar	2025-10-23	3219.65
Gas Chromatography	Folic acid_TMS_34	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1	standard polar	2025-10-23	840.708
Gas Chromatography	Folic acid_TMS_35	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard polar	2025-10-23	2575.61
Gas Chromatography	Folic acid_TMS_36	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard polar	2025-10-23	2592.17
Gas Chromatography	Folic acid_TMS_37	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	1265.43
Gas Chromatography	Folic acid_TMS_38	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	1620.93
Gas Chromatography	Folic acid_TMS_39	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2484.35
Gas Chromatography	Folic acid_TMS_40	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	standard polar	2025-10-23	2418.84
Gas Chromatography	Folic acid_TMS_41	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	standard polar	2025-10-23	1755.93
Gas Chromatography	Folic acid_TMS_42	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	standard polar	2025-10-23	2066.31
Gas Chromatography	Folic acid_TMS_43	C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2616.01
Gas Chromatography	Folic acid_TMS_44	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard polar	2025-10-23	2065.68
Gas Chromatography	Folic acid_TMS_45	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	1471.03
Gas Chromatography	Folic acid_TMS_46	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	1835.23
Gas Chromatography	Folic acid_TMS_47	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	standard polar	2025-10-23	2337.14
Gas Chromatography	Folic acid_TMS_48	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2546.48
Gas Chromatography	Folic acid_TMS_49	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard polar	2025-10-23	1207.55
Gas Chromatography	Folic acid_TMS_50	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	standard polar	2025-10-23	2650.68
Gas Chromatography	Folic acid_TMS_51	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	2584.36
Gas Chromatography	Folic acid_TMS_52	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	1994.55
Gas Chromatography	Folic acid_TMS_53	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	1678.87
Gas Chromatography	Folic acid_TMS_54	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3183.35
Gas Chromatography	Folic acid_TMS_55	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2097.38
Gas Chromatography	Folic acid_TMS_56	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O	standard polar	2025-10-23	1420.66
Gas Chromatography	Folic acid_TMS_57	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O	standard polar	2025-10-23	1298.56
Gas Chromatography	Folic acid_TMS_58	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard polar	2025-10-23	1491.15
Gas Chromatography	Folic acid_TMS_59	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	2539.51
Gas Chromatography	Folic acid_TMS_60	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	3497.87
Gas Chromatography	Folic acid_TMS_61	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	1513.61
Gas Chromatography	Folic acid_TMS_62	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard polar	2025-10-23	3404.87
Gas Chromatography	Folic acid_TMS_63	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1	standard polar	2025-10-23	2163.44
Gas Chromatography	Folic acid_TMS_64	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1	standard polar	2025-10-23	1847.34
Gas Chromatography	Folic acid_TMS_65	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard polar	2025-10-23	971.469
Gas Chromatography	Folic acid_TMS_66	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	2400.88
Gas Chromatography	Folic acid_TMS_67	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	970.923
Gas Chromatography	Folic acid_TMS_68	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2275.05
Gas Chromatography	Folic acid_TMS_69	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	standard polar	2025-10-23	2404.9
Gas Chromatography	Folic acid_TMS_70	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	standard polar	2025-10-23	583.43
Gas Chromatography	Folic acid_TMS_71	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	standard polar	2025-10-23	906.666
Gas Chromatography	Folic acid_TMS_72	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	1989.33
Gas Chromatography	Folic acid_TMS_73	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2198.28
Gas Chromatography	Folic acid_TMS_74	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2638.45
Gas Chromatography	Folic acid_TMS_75	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1610.04
Gas Chromatography	Folic acid_TMS_76	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	standard polar	2025-10-23	1234.29
Gas Chromatography	Folic acid_TMS_77	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	3543.61
Gas Chromatography	Folic acid_TMS_78	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	652.391
Gas Chromatography	Folic acid_TMS_79	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	1520.38
Gas Chromatography	Folic acid_TMS_80	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2113.6
Gas Chromatography	Folic acid_TMS_81	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	1612.38
Gas Chromatography	Folic acid_TMS_82	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	standard polar	2025-10-23	2277.93
Gas Chromatography	Folic acid_TMS_83	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	1585.38
Gas Chromatography	Folic acid_TMS_84	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	1307.44
Gas Chromatography	Folic acid_TMS_85	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2798.24
Gas Chromatography	Folic acid_TMS_86	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	standard polar	2025-10-23	1448.67
Gas Chromatography	Folic acid_TMS_87	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	2136.34
Gas Chromatography	Folic acid_TMS_88	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	standard polar	2025-10-23	1753.91
Gas Chromatography	Folic acid_TMS_89	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2351.79
Gas Chromatography	Folic acid_TMS_90	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2377.29
Gas Chromatography	Folic acid_TMS_91	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2028.1
Gas Chromatography	Folic acid_TMS_92	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	standard polar	2025-10-23	2039.17
Gas Chromatography	Folic acid_TMS_93	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	2708.03
Gas Chromatography	Folic acid_TMS_94	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	standard polar	2025-10-23	3247.76

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Blood
Brain
Cellular Cytoplasm
Cerebrospinal Fluid (CSF)
Erythrocyte
Feces
Kidney
Liver
Urine

Tissue Locations

Brain
Erythrocyte
Kidney
Liver

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191859	Methylenetetrahydrofolate reductase	Unknown	P42898	Homo sapiens
MMDBp0192070	Glycine N-methyltransferase	Unknown	Q14749	Homo sapiens
MMDBp0192325	Formimidoyltransferase-cyclodeaminase	Enzyme	O95954	Homo sapiens
MMDBp0192410	Dihydrofolate reductase	Enzyme	P00374	Homo sapiens
MMDBp0192979	5-formyltetrahydrofolate cyclo-ligase	Unknown	P49914	Homo sapiens
MMDBp0193099	Cytochrome P450 2E1	Unknown	P05181	Homo sapiens
MMDBp0193395	Canalicular multispecific organic anion transporter 2	Transporter	O15438	Homo sapiens
MMDBp0193475	ATP-binding cassette sub-family G member 2	Transporter	Q9UNQ0	Homo sapiens
MMDBp0193496	Folate receptor alpha	Enzyme	P15328	Homo sapiens
MMDBp0193550	Folate transporter 1	Enzyme	P41440	Homo sapiens
MMDBp0193615	Thiamine transporter 1	Enzyme	O60779	Homo sapiens
MMDBp0193790	Proton-coupled folate transporter	Transporter	Q96NT5	Homo sapiens
MMDBp0193851	Folate receptor gamma	Enzyme	P41439	Homo sapiens
MMDBp0193878	Gamma-glutamyl hydrolase	Enzyme	Q92820	Homo sapiens
MMDBp0193945	Multidrug resistance-associated protein 4	Transporter	O15439	Homo sapiens
MMDBp0194161	Dihydrofolate reductase	Enzyme	B0YJ76	Homo sapiens
MMDBp0194757	Solute carrier family 22 member 6	Transporter	Q4U2R8	Homo sapiens
MMDBp0194875	ATP-binding cassette sub-family C member 11	Transporter	Q96J66	Homo sapiens
MMDBp0196382	Folate receptor beta	Unknown	P14207	Homo sapiens
MMDBp0196383	Mitochondrial folate transporter/carrier	Transporter	Q9H2D1	Homo sapiens
MMDBp0196384	Folate transporter-like protein C2orf83	Unknown	Q53S99	Homo sapiens
MMDBp0196385	Probable folate receptor delta	Unknown	A6ND01	Homo sapiens
MMDBp0196796	Dihydrofolate reductase, mitochondrial	Unknown	Q86XF0

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
One Carbon Pool by Folate		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Acinetobacter sp. ADP1 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Ochrobactrum anthropi Bacillus subtilis Pseudomonas stutzeri Mycobacterium tuberculosis Klebsiella pneumoniae Bacillus cereus Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Mycobacterium tuberculosis CDC1551 Bacillus amyloliquefaciens Streptococcus pneumoniae Salmonella enterica Staphylococcus aureus Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium sporogenes Rhodospirillum rubrum ATCC 11170 Methanoculleus marisnigri Lactobacillus fermentum IFO 3956 Streptococcus pneumoniae TIGR4 Aromatoleum aromaticum EbN1 Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acinetobacter baumannii Akkermansia muciniphila ATCC BAA-835 Alistipes finegoldii DSM 17242 Anaerostipes caccae Anaerostipes hadrus Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Alkalihalobacillus pseudofirmus OF4 Bacillus timonensis 10403023 Bacteroides caccae Bacteroides cellulosilyticus Bacteroides eggerthii Bacteroides fragilis Bacteroides fragilis 638R Bacteroides fragilis YCH46 Bacteroides ovatus Bacteroides stercoris Bacteroides stercoris ATCC 43183 Bacteroides thetaiotaomicron Bacteroides thetaiotaomicron VPI-5482 Bacteroides vulgatus Bacteroides xylanisolvens XB1A Bifidobacterium Bifidum Bifidobacterium adolescentis Bifidobacterium adolescentis ATCC 15703 Bifidobacterium animalis subsp. lactis Bifidobacterium bifidum BGN4 Bifidobacterium bifidum PRL2010 Bifidobacterium longum Bifidobacterium longum DJO10A Bifidobacterium longum NCC2705 Bifidobacterium longum subsp. longum JDM301 Bifidobacterium mongoliense DSM 21395 Bifidobacterium thermophilum RBL67 Blautia obeum A2-162 Blautia obeum ATCC 29174 Brevibacillus brevis NBRC 100599 Clostridium beijerinckii NCIMB 8052 Clostridium botulinum Clostridium saccharolyticum Clostridium sticklandii Collinsella aerofaciens Coprococcus catus GD/7 Dorea formicigenerans ATCC 27755 Dysgonomonas gadei ATCC BAA-286 Enterococcus faecalis Eubacterium rectale ATCC 33656 Geobacter metallireducens Haemophilus parainfluenzae T3T1 Limosilactobacillus fermentum Lactobacillus reuteri Megamonas hypermegale Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Odoribacter splanchnicus DSM 20712 Parabacteroides distasonis Parabacteroides distasonis ATCC 8503 Parabacteroides goldsteinii dnLKV18 Porphyromonas asaccharolytica DSM 20707 Porphyromonas endodontalis ATCC 35406 Porphyromonas gingivalis ATCC 33277 Prevotella intermedia Prevotella ruminicola 23 Roseburia hominis A2-183 Streptococcus salivarius lactobacillus crispatus lactobacillus vaginalis Buchnera aphidicola Pelobacter carbinolicus Thermus thermophilus Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Moraxella catarrhalis Neisseria flavescens Neisseria gonorrhoeae Neisseria mucosa Acidiphilium cryptum Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio cholerae Vibrio vulnificus Bacteroides uniformis Fusobacterium periodonticum Fusobacterium ulcerans Syntrophomonas wolfei Desulfovibrio salexigens Desulfovibrio piger Acidithiobacillus ferrooxidans Cytophaga hutchinsonii Capnocytophaga ochracea Capnocytophaga sputigena Rhodopseudomonas palustris Chlorobium phaeobacteroides Leuconostoc mesenteroides Ruminococcus albus Staphylococcus epidermidis Deinococcus radiodurans Streptococcus gordonii Streptococcus oralis Streptococcus sanguinis Streptococcus mutans Streptococcus agalactiae Streptococcus pyogenes Streptococcus dysgalactiae Streptococcus equinus Streptococcus equi Streptococcus uberis Enterococcus gallinarum Bacillus licheniformis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Moorella thermoacetica Clostridium kluyveri Weissella confusa Lactobacillus helveticus Lactobacillus plantarum Lactobacillus sakei Lactobacillus amylovorus Lactobacillus coryniformis Lactobacillus salivarius Listeria monocytogenes Actinomyces viscosus Bifidobacterium angulatum Cellulomonas flavigena Corynebacterium diphtheriae Corynebacterium glutamicum Mycobacterium avium Desulfobacterium autotrophicum Thermotoga neapolitana Xylella fastidiosa Roseobacter denitrificans Bifidobacterium pseudocatenulatum Staphylococcus lugdunensis Acidothermus cellulolyticus Alistipes putredinis Neisseria subflava Staphylococcus saprophyticus Pelobacter propionicus Caldicellulosiruptor bescii Enterococcus avium Thiobacillus denitrificans Enterococcus casseliflavus Eubacterium ventriosum Sulfurimonas denitrificans Veillonella atypica Veillonella dispar Stenotrophomonas maltophilia Leptotrichia buccalis Actinosynnema mirum Caldicellulosiruptor saccharolyticus Enterococcus cecorum Streptococcus cristatus Enterococcus durans Blautia hydrogenotrophica Acidimicrobium ferrooxidans Desulfotomaculum reducens Burkholderia vietnamiensis Holdemania filiformis Sodalis glossinidius Streptococcus peroris Enterobacter cancerogenus Alloprevotella tannerae Streptococcus constellatus Bifidobacterium gallicum Bacillus clausii Bacillus pseudofirmus Clostridium methylpentosum Bacillus selenitireducens Achromobacter xylosoxidans Burkholderia multivorans Dorea longicatena Burkholderia cenocepacia Actinomyces urogenitalis Methylibium petroleiphilum Citrobacter youngae Leuconostoc kimchii Collinsella stercoris Streptococcus lutetiensis Burkholderia ambifaria Prevotella copri Ilyobacter polytropus Marvinbryantia formatexigens Alicycliphilus denitrificans Desulfovibrio magneticus Shewanella denitrificans Methylocella silvestris Bacteroides massiliensis Escherichia albertii Dialister invisus Geobacter bemidjiensis Lactobacillus antri Streptococcus pseudopneumoniae Bacteroides nordii Bacteroides plebeius Phocaeicola coprocola Bacteroides pyogenes Geobacter lovleyi Streptococcus gallolyticus Bacteroides intestinalis Bacteroides salanitronis Coprococcus comes Actinomyces oris Bacteroides fluxus Bacteroides oleiciplenus Bacteroides faecis Agrobacterium tumefaciens Alistipes finegoldii Alistipes shahii Bacteroides helcogenes Bacteroides xylanisolvens Bifidobacterium breve Bifidobacterium catenulatum Blautia obeum Clostridium beijerinckii Dorea formicigenerans Dysgonomonas gadei Enterococcus faecium Enterococcus hirae Gemella sanguinis Haemophilus parainfluenzae Klebsiella variicola Lactobacillus rhamnosus Lactobacillus ruminis Lactococcus lactis Leuconostoc citreum Odoribacter splanchnicus Parabacteroides goldsteinii Porphyromonas asaccharolytica Prevotella ruminicola Streptococcus mitis Streptococcus parasanguinis Streptococcus suis Streptococcus thermophiles Veillonella parvula Gemella haemolysans Rothia dentocariosa Rothia mucilaginosa Actinomyces graevenitzii Barnesiella intestinihominis Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Agrobacterium tumefaciens str. C58 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Bartonella quintana str. Toulouse Bifidobacterium animalis subsp. lactis AD011 Bradyrhizobium japonicum USDA 110 Buchnera aphidicola str. APS (Acyrthosiphon pisum) Buchnera aphidicola str. Sg (Schizaphis graminum) Buchnera aphidicola str. Bp (Baizongia pistaciae) Buchnera aphidicola str. 5A (Acyrthosiphon pisum) Capnocytophaga ochracea DSM 7271 Citrobacter koseri ATCC BAA-895 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium sticklandii DSM 519 Corynebacterium aurimucosum ATCC 700975 Corynebacterium kroppenstedtii DSM 44385 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 Dyadobacter fermentans DSM 18053 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Haemophilus influenzae 86-028NP Haemophilus influenzae PittGG Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Kocuria rhizophila DC2201 Kytococcus sedentarius DSM 20547 Lactobacillus plantarum WCFS1 Lactobacillus salivarius UCC118 Lactobacillus acidophilus NCFM Lactobacillus sakei subsp. sakei 23K Lactobacillus brevis ATCC 367 Lactobacillus casei ATCC 334 Lactobacillus reuteri DSM 20016 Lactobacillus helveticus DPC 4571 Lactobacillus amylovorus GRL 1112 Lactobacillus reuteri SD2112 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris SK11 Lactococcus lactis subsp. cremoris MG1363 Laribacter hongkongensis HLHK9 Leptotrichia buccalis C-1013-b Leuconostoc mesenteroides subsp. mesenteroides ATCC 8293 Lysinibacillus sphaericus C3-41 Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Micrococcus luteus NCTC 2665 Mobiluncus curtisii ATCC 43063 Mycobacterium avium subsp. paratuberculosis K-10 Mycobacterium avium 104 Neisseria gonorrhoeae FA 1090 Neisseria meningitidis MC58 Neisseria meningitidis Z2491 Neisseria meningitidis FAM18 Neisseria gonorrhoeae NCCP11945 Tropheryma whipplei str. Twist Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 Bifidobacterium animalis subsp. lactis CNCM I-2494 Pediococcus pentosaceus ATCC 25745 Porphyromonas gingivalis W83 Propionibacterium freudenreichii subsp. shermanii CIRM-BIA1 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Rhodococcus erythropolis PR4 Rothia mucilaginosa DY-18 Rothia dentocariosa ATCC 17931 Ruminococcus albus 7 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Spirosoma linguale DSM 74 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus epidermidis RP62A Staphylococcus epidermidis ATCC 12228 Staphylococcus haemolyticus JCSC1435 Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 Staphylococcus aureus subsp. aureus NCTC 8325 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Streptococcus agalactiae 2603V/R Streptococcus mutans UA159 Streptococcus agalactiae NEM316 Streptococcus thermophilus LMG 18311 Streptococcus pyogenes MGAS9429 Streptococcus pneumoniae D39 Streptococcus sanguinis SK36 Streptococcus gordonii str. Challis substr. CH1 Streptococcus pneumoniae Hungary19A-6 Streptococcus pyogenes NZ131 Streptococcus uberis 0140J Streptococcus pneumoniae JJA Streptococcus equi subsp. equi 4047 Streptococcus oralis Uo5 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Aquifex aeolicus Bacteroides cellulosilyticus DSM 14838 Bacteroides eggerthii 1_2_48FAA Bacteroides fluxus YIT 12057 Bacteroides graminisolvens Bacteroides graminisolvens DSM 19988 = JCM 15093 Bacteroides intestinalis DSM 17393 Bacteroides nordii CL02T12C05 Bacteroides oleiciplenus YIT 12058 Bacteroides ovatus ATCC 8483 Bacteroides pyogenes DSM 20611 = JCM 6294 Bacteroides uniformis ATCC 8492 Bacteroides xylanisolvens SD CC 1b Bacteroides sp. 1_1_14 Bacteroides sp. 1_1_30 Bacteroides sp. 2_1_22 Bacteroides sp. 2_2_4 Bacteroides sp. D2 Bacteroides sp. D20 Bacteroides sp. D22 Barnesiella intestinihominis YIT 11860 Butyricimonas virosa Odoribacter laneus YIT 12061 Porphyromonas endodontalis Porphyromonas uenonis 60-3 Alloprevotella tannerae ATCC 51259 Paraprevotella clara YIT 11840 Paraprevotella xylaniphila YIT 11841 Prevotella bivia DSM 20514 Prevotella buccae ATCC 33574 Prevotella denticola Prevotella disiens FB035-09AN Prevotella loescheii DSM 19665 = JCM 12249 = ATCC 15930 Prevotella oralis ATCC 33269 Prevotella pallens ATCC 700821 Prevotella salivae DSM 15606 Prevotella shahii DSM 15611 = JCM 12083 Prevotella timonensis CRIS 5C-B1 Alistipes indistinctus YIT 12060 Alistipes putredinis DSM 17216 Parabacteroides johnsonii DSM 18315 Parabacteroides sp. D13 Tannerella forsythia Bacteroides coprophilus DSM 18228 = JCM 13818 Bacteroides dorei DSM 17855 Spirosoma linguale Chlorobium limicola Cetobacterium somerae ATCC BAA-474 Fusobacterium periodonticum 1_1_41FAA Bartonella quintana Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Parasutterella excrementihominis YIT 11859 Sutterella parvirubra Sutterella parvirubra YIT 11816 Laribacter hongkongensis Eikenella corrodens Eikenella corrodens ATCC 23834 Kingella oralis Kingella oralis ATCC 51147 Neisseria cinerea ATCC 14685 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Neisseria macacae Neisseria macacae ATCC 33926 Neisseria meningitidis Neisseria mucosa ATCC 25996 Neisseria subflava NJ9703 Nitrosospira multiformis Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Aeromonas caviae Aeromonas media Aeromonas veronii Succinatimonas hippei Succinatimonas hippei YIT 12066 Succinivibrio dextrinosolvens Allochromatium vinosum Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Legionella pneumophila Actinobacillus pleuropneumoniae Aggregatibacter aphrophilus Haemophilus haemolyticus Haemophilus sputorum Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Francisella tularensis Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Leptospira interrogans Actinomyces graevenitzii C83 Actinomyces naeslundii Actinomyces naeslundii str. Howell 279 Actinomyces urogenitalis DSM 15434 Actinomyces viscosus C505 Mobiluncus curtisii Bifidobacterium stercoris JCM 15918 Bifidobacterium angulatum DSM 20098 = JCM 7096 Bifidobacterium boum Bifidobacterium catenulatum DSM 16992 = JCM 1194 = LMG 11043 Bifidobacterium gallicum DSM 20093 = LMG 11596 Bifidobacterium longum subsp. infantis CCUG 52486 Bifidobacterium mongoliense Bifidobacterium pseudocatenulatum DSM 20438 = JCM 1200 = LMG 10505 Bifidobacterium thermacidophilum Bifidobacterium thermophilum Corynebacterium amycolatum Corynebacterium aurimucosum Corynebacterium durum Corynebacterium durum F0235 Corynebacterium tuberculostearicum Corynebacterium tuberculostearicum SK141 Gordonia terrae C-6 Rhodococcus erythropolis Brevibacterium casei Brevibacterium casei S18 Brevibacterium linens Microbacterium oleivorans Kocuria palustris PEL Rothia aeria F0474 Cellulosimicrobium cellulans Tropheryma whipplei Propionibacterium Streptomyces avermitilis Thermomonospora curvata Collinsella intestinalis DSM 13280 Collinsella stercoris DSM 13279 Collinsella tanakaei YIT 12063 Bacillus altitudinis Bacillus infantis NRRL B-14911 Bacillus firmus DS1 Lysinibacillus sphaericus Listeria grayi Listeria grayi DSM 20601 Listeria monocytogenes 10403S Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Paenibacillus lactis 154 Gemella haemolysans ATCC 10379 Exiguobacterium aurantiacum Abiotrophia defectiva Abiotrophia defectiva ATCC 49176 Enterococcus asini ATCC 700915 Enterococcus caccae ATCC BAA-1240 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus dispar ATCC 51266 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus paracasei subsp. paracasei 8700:2 Lactobacillus rhamnosus LMS2-1 Lactobacillus hilgardii DSM 20176 = ATCC 8290 Lactobacillus salivarius DSM 20555 = ATCC 11741 Lactobacillus antri DSM 16041 Lactobacillus coleohominis 101-4-CHN Lactobacillus vaginalis DSM 5837 = ATCC 49540 Lactobacillus reuteri CF48-3A Lactobacillus reuteri MM4-1A Pediococcus acidilactici DSM 20284 Pediococcus pentosaceus Leuconostoc lactis Leuconostoc mesenteroides subsp. cremoris ATCC 19254 Oenococcus oeni Weissella cibaria Weissella paramesenteroides Weissella paramesenteroides ATCC 33313 Lactococcus garvieae Streptococcus constellatus subsp. pharyngis SK1060 = CCUG 46377 Streptococcus australis ATCC 700641 Streptococcus equi subsp. zooepidemicus H70 Streptococcus equi subsp. zooepidemicus MGCS10565 Streptococcus equinus ATCC 9812 Streptococcus infantis ATCC 700779 Streptococcus vestibularis F0396 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 Anaerofustis stercorihominis Anaerofustis stercorihominis DSM 17244 Eubacterium ventriosum ATCC 27560 [Eubacterium] cellulosolvens 6 Anaerostipes caccae DSM 14662 Blautia hydrogenotrophica DSM 10507 Blautia wexlerae Coprococcus comes ATCC 27758 Dorea longicatena DSM 13814 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Ruminococcus] gnavus ATCC 29149 [Ruminococcus] lactaris ATCC 29176 [Ruminococcus] torques ATCC 27756 Oribacterium sinus F0268 Roseburia inulinivorans DSM 16841 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 [Eubacterium] siraeum DSM 15702 [Bacteroides] pectinophilus ATCC 43243 Mogibacterium timidum Mogibacterium timidum ATCC 33093 [Clostridium] spiroforme DSM 1552 Holdemania filiformis DSM 12042 Kandleria vitulina Kandleria vitulina DSM 20405 Dialister invisus DSM 15470 Dialister succinatiphilus Dialister succinatiphilus YIT 11850 Veillonella atypica ACS-049-V-Sch6 Veillonella dispar ATCC 17748 Anaerococcus hydrogenalis DSM 7454 Parvimonas micra ATCC 33270 Halococcus morrhuae DSM 1307 Halococcus morrhuae Streptomyces coelicolor A3(2) Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Corynebacterium glutamicum ATCC 13032 Clostridioides difficile 630 Clostridioides difficile NAP08 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Bifidobacterium longum subsp. infantis Bifidobacterium longum subsp. longum Lachnoclostridium phytofermentans ISDg Leuconostoc citreum KM20 Streptococcus mitis B6 Streptococcus parasanguinis ATCC 15912 Streptococcus parasanguinis FW213 Streptococcus pasteurianus ATCC 43144 Streptococcus suis GZ1 Acidimicrobium ferrooxidans DSM 10331 Acidothermus cellulolyticus 11B Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Alkaliphilus oremlandii OhILAs Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Bacillus selenitireducens MLS10 Beutenbergia cavernae DSM 12333 Bifidobacterium dentium Bd1 Butyrivibrio proteoclasticus B316 Caldicellulosiruptor bescii DSM 6725 Candidatus Desulforudis audaxviator MP104C Carboxydothermus hydrogenoformans Z-2901 Catenulispora acidiphila DSM 44928 Cellulomonas flavigena DSM 20109 Clavibacter michiganensis subsp. michiganensis NCPPB 382 Clostridium thermocellum ATCC 27405 Conexibacter woesei DSM 14684 Corynebacterium jeikeium K411 Corynebacterium glutamicum R Corynebacterium urealyticum DSM 7109 Corynebacterium resistens DSM 45100 Deinococcus radiodurans R1 Deinococcus geothermalis DSM 11300 Deinococcus proteolyticus MRP Desulfotomaculum reducens MI-1 Exiguobacterium sibiricum 255-15 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Gardnerella vaginalis ATCC 14019 Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Gordonia bronchialis DSM 43247 Intrasporangium calvum DSM 43043 Jonesia denitrificans DSM 20603 Kineococcus radiotolerans SRS30216 Kribbella flavida DSM 17836 Lactobacillus crispatus ST1 Leuconostoc kimchii IMSNU 11154 Listeria innocua Clip11262 Listeria welshimeri serovar 6b str. SLCC5334 Macrococcus caseolyticus JCSC5402 Meiothermus ruber DSM 1279 Mycobacterium leprae TN Mycobacterium bovis AF2122/97 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium bovis BCG str. Pasteur 1173P2 Mycobacterium tuberculosis H37Ra Mycobacterium abscessus ATCC 19977 Mycobacterium leprae Br4923 Mycobacterium sp. Spyr1 Mycobacterium sp. JDM601 Mycobacterium canettii CIPT 140010059 Nakamurella multipartita DSM 44233 Natranaerobius thermophilus JW/NM-WN-LF Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Corynebacterium diphtheriae NCTC 13129 Oceanobacillus iheyensis HTE831 Caldicellulosiruptor saccharolyticus DSM 8903 Bacillus tusciae DSM 2912 Thermobaculum terrenum ATCC BAA-798 Oenococcus oeni PSU-1 Pseudonocardia dioxanivorans CB1190 Renibacterium salmoninarum ATCC 33209 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Rubrobacter xylanophilus DSM 9941 Saccharomonospora viridis DSM 43017 Salinispora tropica CNB-440 Sanguibacter keddieii DSM 10542 Slackia heliotrinireducens DSM 20476 Stackebrandtia nassauensis DSM 44728 Staphylococcus carnosus subsp. carnosus TM300 Streptococcus equi subsp. zooepidemicus Streptococcus suis BM407 Streptococcus gallolyticus UCN34 Streptomyces scabiei 87.22 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Symbiobacterium thermophilum IAM 14863 Thermoanaerobacter sp. X514 Thermoanaerobacter pseudethanolicus ATCC 33223 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Thermobispora bispora DSM 43833 Thermomonospora curvata DSM 43183 Tsukamurella paurometabola DSM 20162 Xylanimonas cellulosilytica DSM 15894 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus parasiticus SU-1 Aspergillus phoenicis Aspergillus ruber Aspergillus sclerotioniger Aspergillus glaucus Aspergillus aculeatus ATCC 16872 Aspergillus leporis Aspergillus niger ATCC 1015 Aspergillus oryzae RIB40 Aspergillus terreus NIH2624 Aspergillus wentii Aspergillus clavatus NRRL 1 Aspergillus fischeri NRRL 181 Aspergillus fumigatus A1163 Aspergillus fumigatus Af293 Aspergillus calidoustus Aspergillus nidulans FGSC A4 Aspergillus taichungensis Aspergillus tamarii Aspergillus thermomutatus Aspergillus tubingensis Aspergillus violaceofuscus Aspergillus viridinutans Penicillium brasilianum Penicillium brevicompactum Penicillium canescens Penicillium chermesinum Penicillium citrinum Penicillium concentricum Penicillium daleae Penicillium decumbens Penicillium griseofulvum Penicillium hordei Penicillium italicum Penicillium nalgiovense Penicillium oxalicum Penicillium polonicum Penicillium roqueforti FM164 Penicillium solitum Penicillium steckii Penicillium thymicola Penicillium vulpinum Verticillium alfalfae VaMs.102 Trichoderma arundinaceum Trichoderma asperellum Trichoderma atroviride IMI 206040 Trichoderma citrinoviride Trichoderma harzianum Trichoderma longibrachiatum Trichoderma parareesei Trichoderma reesei QM6a Trichoderma virens Trichoderma virens Gv29-8 Fusarium acutatum Fusarium fujikuroi IMI 58289 Fusarium mangiferae Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium heterosporum Fusarium equiseti Fusarium oxysporum Fo5176 Fusarium oxysporum f. sp. lycopersici 4287 Fusarium austroamericanum Fusarium graminearum PH-1 Fusarium poae Fusarium pseudograminearum CS3096 Fusarium sporotrichioides Fusarium vanettenii Fusarium vanettenii 77-13-4 Fusarium tricinctum Paraburkholderia graminis C4D1M Schaalia cardiffensis F0333 Schaalia odontolytica ATCC 17982 Schaalia turicensis ACS-279-V-Col4 Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Acidipropionibacterium acidipropionici ATCC 4875 Cutibacterium granulosum DSM 20700 Leuconostoc mesenteroides subsp. cremoris Anaerobutyricum hallii DSM 3353 Bacteroides helcogenes P 36-108 Bacteroides salanitronis DSM 18170 Klebsiella aerogenes KCTC 2190 Treponema succinifaciens DSM 2489 Halanaerobium hydrogeniformans Acaryochloris marina MBIC11017 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidithiobacillus ferrooxidans ATCC 23270 Acidobacterium capsulatum ATCC 51196 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Anabaena variabilis ATCC 29413 Anaeromyxobacter dehalogenans 2CP-C Anaeromyxobacter sp. Fw109-5 Anaeromyxobacter sp. K Anaeromyxobacter dehalogenans 2CP-1 Aquifex aeolicus VF5 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Bartonella bacilliformis KC583 Bartonella tribocorum CIP 105476 Bartonella grahamii as4aup Mannheimia succiniciproducens MBEL55E Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bordetella avium 197N Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Brucella melitensis bv. 1 str. 16M Brucella abortus bv. 1 str. 9-941 Brucella ovis ATCC 25840 Brucella canis ATCC 23365 Brucella suis ATCC 23445 Brucella abortus S19 Brucella melitensis ATCC 23457 Brucella microti CCM 4915 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Burkholderia rhizoxinica HKI 454 Candidatus Azobacteroides pseudotrichonymphae genomovar. CFP2 Candidatus Hamiltonella defensa 5AT (Acyrthosiphon pisum) Candidatus Koribacter versatilis Ellin345 Candidatus Liberibacter asiaticus str. psy62 Candidatus Pelagibacter ubique HTCC1062 Capnocytophaga canimorsus Cc5 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Cellulophaga algicola DSM 14237 Clostridium lentocellum DSM 5427 Cellvibrio japonicus Ueda107 Cellvibrio gilvus ATCC 13127 Chitinophaga pinensis DSM 2588 Chlorobium tepidum TLS Chlorobium phaeobacteroides DSM 266 Chlorobium limicola DSM 245 Chloroflexus aurantiacus J-10-fl Chloroflexus aggregans DSM 9485 Chloroherpeton thalassium ATCC 35110 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H Coprothermobacter proteolyticus DSM 5265 Coxiella burnetii RSA 493 Coxiella burnetii Dugway 5J108-111 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Cyanothece sp. ATCC 51142 Cyanothece sp. PCC 8801 Cyanothece sp. PCC 7424 Cytophaga hutchinsonii ATCC 33406 Deinococcus deserti VCD115 Desulfobacterium autotrophicum HRM2 Desulfomicrobium baculatum DSM 4028 Desulfotalea psychrophila LSv54 Desulfovibrio vulgaris str. Hildenborough Desulfovibrio vulgaris DP4 Desulfovibrio magneticus RS-1 Desulfovibrio salexigens DSM 2638 Dichelobacter nodosus VCS1703A Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Erythrobacter litoralis HTCC2594 Ferrimonas balearica DSM 9799 Fervidobacterium nodosum Rt17-B1 Flavobacterium psychrophilum JIP02/86 Francisella tularensis subsp. holarctica LVS Geobacter metallireducens GS-15 Geobacter uraniireducens Rf4 Geobacter lovleyi SZ Geobacter bemidjiensis Bem Geobacter sp. FRC-32 Geobacter sp. M18 Gloeobacter violaceus PCC 7421 Gluconacetobacter diazotrophicus PAl 5 Gluconobacter oxydans 621H Gramella forsetii KT0803 Granulibacter bethesdensis CGDNIH1 Haemophilus parasuis SH0165 Haemophilus influenzae F3047 Hahella chejuensis KCTC 2396 Haliangium ochraceum DSM 14365 Halorhodospira halophila SL1 Haloterrigena turkmenica DSM 5511 Halothiobacillus neapolitanus c2 Herminiimonas arsenicoxydans Herpetosiphon aurantiacus DSM 785 Hydrogenobacter thermophilus TK-6 Hyphomonas neptunium ATCC 15444 Idiomarina loihiensis L2TR Ilyobacter polytropus DSM 2926 Isosphaera pallida ATCC 43644 Jannaschia sp. CCS1 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Leadbetterella byssophila DSM 17132 Legionella pneumophila subsp. pneumophila str. Philadelphia 1 Legionella pneumophila str. Lens Legionella longbeachae NSW150 Leifsonia xyli subsp. xyli str. CTCB07 Leptospira borgpetersenii serovar Hardjo-bovis JB197 Leptothrix cholodnii SP-6 Magnetospirillum magneticum AMB-1 Maricaulis maris MCS10 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Meiothermus silvanus DSM 9946 Methanoculleus marisnigri JR1 Methylibium petroleiphilum PM1 Methylobacillus flagellatus KT Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Methylobacterium extorquens AM1 Methylobacterium extorquens DM4 Methylocella silvestris BL2 Methylotenera mobilis JLW8 Methylovorus glucosetrophus SIP3-4 Microbacterium testaceum StLB037 Microcystis aeruginosa NIES-843 Natrialba magadii ATCC 43099 Neisseria meningitidis alpha14 Neisseria lactamica 020-06 Nitrobacter winogradskyi Nb-255 Nitrobacter hamburgensis X14 Nitrosococcus oceani ATCC 19707 Nitrosococcus halophilus Nc4 Nitrosomonas eutropha C91 Nitrosospira multiformis ATCC 25196 Nostoc sp. PCC 7120 Nostoc punctiforme PCC 73102 Novosphingobium aromaticivorans DSM 12444 Bordetella bronchiseptica RB50 Geobacter sulfurreducens PCA Wigglesworthia glossinidia endosymbiont of Glossina brevipalpis Xanthomonas axonopodis pv. citri str. 306 Leptospira interrogans serovar Lai str. 56601 Nitrosomonas europaea ATCC 19718 Chromobacterium violaceum ATCC 12472 Bdellovibrio bacteriovorus HD100 Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130 Thermus thermophilus HB27 Sodalis glossinidius str. 'morsitans' Synechococcus sp. JA-2-3B'a(2-13) Syntrophomonas wolfei subsp. wolfei str. Goettingen Candidatus Ruthia magnifica str. Cm (Calyptogena magnifica) Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Leptospira biflexa serovar Patoc strain 'Patoc 1 (Paris)' Alteromonas macleodii str. 'Deep ecotype' Gemmatimonas aurantiaca T-27 Deferribacter desulfuricans SSM1 Denitrovibrio acetiphilus DSM 12809 Calditerrivibrio nitroreducens DSM 19672 Thermus scotoductus SA-01 Rhodobacter capsulatus SB1003 Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Parvibaculum lavamentivorans DS-1 Pasteurella multocida subsp. multocida str. Pm70 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Pedobacter heparinus DSM 2366 Pelobacter carbinolicus DSM 2380 Pelobacter propionicus DSM 2379 Chlorobium luteolum DSM 273 Pelodictyon phaeoclathratiforme BU-1 Persephonella marina EX-H1 Petrotoga mobilis SJ95 Phenylobacterium zucineum HLK1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Pirellula staleyi DSM 6068 Planctomyces limnophilus DSM 3776 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Polynucleobacter necessarius subsp. asymbioticus QLW-P1DMWA-1 Prochlorococcus marinus subsp. marinus str. CCMP1375 Prochlorococcus marinus str. MIT 9313 Prochlorococcus marinus subsp. pastoris str. CCMP1986 Prochlorococcus marinus str. NATL2A Prochlorococcus marinus str. MIT 9312 Prochlorococcus marinus str. AS9601 Prochlorococcus marinus str. MIT 9515 Prochlorococcus marinus str. NATL1A Prochlorococcus marinus str. MIT 9303 Prochlorococcus marinus str. MIT 9301 Prochlorococcus marinus str. MIT 9215 Prochlorococcus marinus str. MIT 9211 Prosthecochloris aestuarii DSM 271 Pseudoalteromonas haloplanktis TAC125 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Pseudomonas fulva 12-X Psychrobacter arcticus 273-4 Psychrobacter cryohalolentis K5 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopirellula baltica SH 1 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Rhodospirillum centenum SW Rhodothermus marinus DSM 4252 Roseiflexus sp. RS-1 Roseiflexus castenholzii DSM 13941 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Ruegeria sp. TM1040 Saccharophagus degradans 2-40 Salinibacter ruber DSM 13855 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Segniliparus rotundus DSM 44985 Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shewanella baltica OS223 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingobium japonicum UT26S Sphingomonas wittichii RW1 Sphingopyxis alaskensis RB2256 Sulfurihydrogenibium azorense Az-Fu1 Sulfurimonas denitrificans DSM 1251 Synechococcus sp. WH 8102 Synechococcus sp. CC9902 Synechococcus sp. JA-3-3Ab Synechococcus sp. CC9311 Synechococcus sp. WH 7803 Synechococcus sp. RCC307 Synechococcus sp. PCC 7002 Taylorella equigenitalis MCE9 Teredinibacter turnerae T7901 Thermocrinis albus DSM 14484 Thermomicrobium roseum DSM 5159 Thermoplasma volcanium GSS1 Thermosipho melanesiensis BI429 Thermosipho africanus TCF52B Thermotoga petrophila RKU-1 Thermotoga sp. RQ2 Thermotoga neapolitana DSM 4359 Thioalkalivibrio sp. K90mix Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Treponema brennaborense DSM 12168 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Weeksella virosa DSM 16922 Xanthobacter autotrophicus Py2 Xanthomonas oryzae pv. oryzae KACC10331 Xanthomonas campestris pv. vesicatoria str. 85-10 Xanthomonas oryzae pv. oryzae PXO99A Xenorhabdus bovienii SS-2004 Xenorhabdus nematophila ATCC 19061 Xylella fastidiosa 9a5c Xylella fastidiosa Temecula1 Xylella fastidiosa M23 Zunongwangia profunda SM-A87 Zymomonas mobilis subsp. pomaceae ATCC 29192 Sphingobacterium paucimobilis HER1398 Neisseria meningitidis serogroup C Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Hungatella hathewayi DSM 13479 Veillonella seminalis ACS-216-V-Col6b
Operon: Folylpolyglutamate Synthase

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018067	Dihydrofolic acid	Folic acid	Dihydrofolate reductase	Reduction	PathBank	31602464
MMDBr0018750	Folic acid	Tetrahydrofolic acid	Dihydrofolate reductase	Reduction	PathBank	31602464
MMDBr0019770	Dihydrofolic acid	Folic acid	Dihydrofolate reductase	Reduction	PathBank	31602464
MMDBr0019772	Folic acid	Tetrahydrofolic acid	Dihydrofolate reductase	Reduction	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Alzheimer's disease	Decreased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	11959400
Alzheimer's disease	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	21474939
Dimethylglycine dehydrogenase deficiency		Association	Human Blood	HMDB	10102904
Fibromyalgia	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	20087382
Rheumatoid arthritis	Slight Increase	Association	Human Blood	HMDB	16277678

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota	Apicomplexa	1		Microbial culture
Bacteria/Eubacteria	Firmicutes	577	Human ; Human feces; Human saliva; Human supragingival plaque; Human subgingival plaque; Human mucosa; Human pleural fluid plaque; Human urine; Human sputum; Pig ; Cattle	Microbial culture; Metabolic reconstruction
Eukaryota	Euglenozoa	1		Microbial culture
Bacteria/Eubacteria	Spirochaetes	4	Human feces	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	9	Human feces	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	224	Human ; Human feces; Human saliva; Human mucosa; Human supragingival plaque; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human subgingival plaque	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	233	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	160	Human feces; Human appendix biopsy; Human ; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria	Firmicutes	2	Human ; Human feces; Human saliva; Human supragingival plaque; Human subgingival plaque; Human mucosa; Human pleural fluid plaque; Human urine; Human sputum; Pig ; Cattle	Microbial culture; Metabolic reconstruction
Archaea	Thaumarchaeota	2		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	25	Human feces; Human	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	8		Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	2		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Food Exposures

Source Type	Source Sub-type	Source Name	Data Source	Reference
Animal	Not Available	African ostrich	FooDB	34893796
Animal	Not Available	Agar	FooDB	DTU
Animal	Not Available	American butterfish	FooDB	34893796
Animal	Not Available	American lobster	FooDB	34893796
Animal	Not Available	American shad	FooDB	34893796
Animal	Not Available	Anchovy	FooDB	34893796
Animal	Not Available	Anguilliformes	FooDB	DTU
Animal	Not Available	Atlantic cod	FooDB	34893796
Animal	Not Available	Atlantic croaker	FooDB	34893796
Animal	Not Available	Atlantic halibut	FooDB	DTU
Animal	Not Available	Atlantic herring	FooDB	34893796
Animal	Not Available	Atlantic pollock	FooDB	34893796
Animal	Not Available	Atlantic salmon	FooDB	34893796
Animal	Not Available	Atlantic wolffish	FooDB	DTU
Animal	Not Available	Blue crab	FooDB	34893796
Animal	Not Available	Blue mussel	FooDB	34893796
Animal	Not Available	Bluefish	FooDB	34893796
Animal	Not Available	Burbot	FooDB	DTU
Animal	Not Available	Carp bream	FooDB	DTU
Animal	Not Available	Catfish	FooDB	34893796
Animal	Not Available	Channel catfish	FooDB	34893796
Animal	Not Available	Charr	FooDB	DTU
Animal	Not Available	Chicken	FooDB	DTU
Animal	Not Available	Chinook salmon	FooDB	34893796
Animal	Not Available	Chum salmon	FooDB	34893796
Animal	Not Available	Cichlidae (tilapia)	FooDB	34893796
Animal	Not Available	Cisco	FooDB	34893796
Animal	Not Available	Clawed lobster	FooDB	DTU
Animal	Not Available	Clupeinae (herring, sardine, sprat)	FooDB	DTU
Animal	Not Available	Coho salmon	FooDB	34893796
Animal	Not Available	Common carp	FooDB	34893796
Animal	Not Available	Common dab	FooDB	DTU
Animal	Not Available	Common ling	FooDB	34893796
Animal	Not Available	Common octopus	FooDB	DTU
Animal	Not Available	Conch	FooDB	34893796
Animal	Not Available	Cow	FooDB	34893796
Animal	Not Available	Crab	FooDB	DTU
Animal	Not Available	Crayfish	FooDB	DTU
Animal	Not Available	Cusk	FooDB	34893796
Animal	Not Available	Cuttlefish	FooDB	34893796
Animal	Not Available	Domestic goat	FooDB	34893796
Animal	Not Available	Dungeness crab	FooDB	34893796
Animal	Not Available	Eastern oyster	FooDB	34893796
Animal	Not Available	European anchovy	FooDB	34893796
Animal	Not Available	Flatfish	FooDB	DTU
Animal	Not Available	Florida pompano	FooDB	34893796
Animal	Not Available	Freshwater drum	FooDB	34893796
Animal	Not Available	Freshwater eel	FooDB	34893796
Animal	Not Available	Gadiformes	FooDB	DTU
Animal	Not Available	Gadus (common cod)	FooDB	DTU
Animal	Not Available	Garfish	FooDB	DTU
Animal	Not Available	Greater sturgeon	FooDB	34893796
Animal	Not Available	Greenland halibut/turbot	FooDB	DTU
Animal	Not Available	Grouper	FooDB	34893796
Animal	Not Available	Haddock	FooDB	DTU
Animal	Not Available	Hippoglossus (common halibut)	FooDB	34893796
Animal	Not Available	Irish moss	FooDB	34893796
Animal	Not Available	Japanese sea bass	FooDB	34893796
Animal	Not Available	Kelp	FooDB	34893796
Animal	Not Available	King mackerel	FooDB	34893796
Animal	Not Available	Kombu	FooDB	DTU
Animal	Not Available	Lake trout	FooDB	DTU
Animal	Not Available	Laver	FooDB	34893796
Animal	Not Available	Lemon sole	FooDB	DTU
Animal	Not Available	Lingcod	FooDB	34893796
Animal	Not Available	Lumpsucker	FooDB	DTU
Animal	Not Available	Marine mussel	FooDB	DTU
Animal	Not Available	Milkfish	FooDB	34893796
Animal	Not Available	Mollusks	FooDB	34893796
Animal	Not Available	Monkfish	FooDB	34893796
Animal	Not Available	Mountain hare	FooDB	DTU
Animal	Not Available	Northern bluefin tuna	FooDB	34893796
Animal	Not Available	Northern pike	FooDB	DTU
Animal	Not Available	Norway lobster	FooDB	DTU
Animal	Not Available	Norway pout	FooDB	DTU
Animal	Not Available	Ocean pout	FooDB	34893796
Animal	Not Available	Orange roughy	FooDB	34893796
Animal	Not Available	Pacific cod	FooDB	34893796
Animal	Not Available	Pacific halibut	FooDB	34893796
Animal	Not Available	Pacific herring	FooDB	34893796
Animal	Not Available	Pacific jack mackerel	FooDB	34893796
Animal	Not Available	Pacific ocean perch	FooDB	DTU
Animal	Not Available	Pacific oyster	FooDB	34893796
Animal	Not Available	Pacific rockfish	FooDB	34893796
Animal	Not Available	Perciformes	FooDB	DTU
Animal	Not Available	Percoidei (bass and others)	FooDB	34893796
Animal	Not Available	Pig	FooDB	34893796
Animal	Not Available	Pikeperch	FooDB	DTU
Animal	Not Available	Pink salmon	FooDB	34893796
Animal	Not Available	Pleuronectidae (dab, halibut, plaice)	FooDB	DTU
Animal	Not Available	Pollock	FooDB	DTU
Animal	Not Available	Quail	FooDB	34893796
Animal	Not Available	Rainbow smelt	FooDB	34893796
Animal	Not Available	Rainbow trout	FooDB	DTU
Animal	Not Available	Red king crab	FooDB	34893796
Animal	Not Available	Sablefish	FooDB	34893796
Animal	Not Available	Salmonidae (salmon, trout)	FooDB	DTU
Animal	Not Available	Scallop	FooDB	34893796
Animal	Not Available	Scombridae (bonito, mackerel, tuna)	FooDB	DTU
Animal	Not Available	Scup	FooDB	34893796
Animal	Not Available	Sea trout	FooDB	34893796
Animal	Not Available	Shark	FooDB	34893796
Animal	Not Available	Sheefish	FooDB	34893796
Animal	Not Available	Sheepshead	FooDB	34893796
Animal	Not Available	Shrimp	FooDB	DTU
Animal	Not Available	Skipjack tuna	FooDB	34893796
Animal	Not Available	Snail	FooDB	DTU
Animal	Not Available	Snapper	FooDB	34893796
Animal	Not Available	Snow crab	FooDB	34893796
Animal	Not Available	Sockeye salmon	FooDB	34893796
Animal	Not Available	Spanish mackerel	FooDB	34893796
Animal	Not Available	Spiny dogfish	FooDB	DTU
Animal	Not Available	Spiny lobster	FooDB	34893796
Animal	Not Available	Spirulina	FooDB	34893796
Animal	Not Available	Spot croaker	FooDB	34893796
Animal	Not Available	Squab	FooDB	34893796
Animal	Not Available	Squid	FooDB	34893796
Animal	Not Available	Striped bass	FooDB	34893796
Animal	Not Available	Striped mullet	FooDB	34893796
Animal	Not Available	Sturgeon	FooDB	DTU
Animal	Not Available	Swordfish	FooDB	34893796
Animal	Not Available	Thunnus	FooDB	DTU
Animal	Not Available	Tilefish	FooDB	34893796
Animal	Not Available	True sole	FooDB	34893796
Animal	Not Available	Turbot	FooDB	DTU
Animal	Not Available	Wakame	FooDB	34893796
Animal	Not Available	Whelk	FooDB	34893796
Animal	Not Available	White sucker	FooDB	34893796
Animal	Not Available	Whitefish	FooDB	DTU
Animal	Not Available	Whiting	FooDB	DTU
Animal	Not Available	Yellowfin tuna	FooDB	34893796
Animal	Not Available	Yellowtail amberjack	FooDB	34893796
Plant	Not Available	Agave	FooDB	34893796
Plant	Not Available	Alcoholic beverage	FooDB	Manually Annotated
Plant	Not Available	Allium	FooDB	DTU
Plant	Not Available	Almond	FooDB	DTU
Plant	Not Available	Amaranth	FooDB	34893796
Plant	Not Available	Arabica coffee	FooDB	DTU
Plant	Not Available	Arrowhead	FooDB	34893796
Plant	Not Available	Arrowroot	FooDB	34893796
Plant	Not Available	Banana	FooDB	34893796
Plant	Not Available	Beer	FooDB	DTU
Plant	Not Available	Black salsify	FooDB	DTU
Plant	Not Available	Black walnut	FooDB	DTU
Plant	Not Available	Borage	FooDB	34893796
Plant	Not Available	Brandy	FooDB	DTU
Plant	Not Available	Broccoli	FooDB	DTU
Plant	Not Available	Brussel sprouts	FooDB	DTU
Plant	Not Available	Cabbage	FooDB	34893796
Plant	Not Available	Cardoon	FooDB	34893796
Plant	Not Available	Cassava	FooDB	DTU
Plant	Not Available	Cauliflower	FooDB	DTU
Plant	Not Available	Celeriac	FooDB	34893796
Plant	Not Available	Celery stalks	FooDB	34893796
Plant	Not Available	Chanterelle	FooDB	DTU
Plant	Not Available	Cherimoya	FooDB	DTU
Plant	Not Available	Chervil	FooDB	DTU
Plant	Not Available	Chicory	FooDB	DTU
Plant	Not Available	Chinese broccoli	FooDB	34893796
Plant	Not Available	Chinese cabbage	FooDB	DTU
Plant	Not Available	Chinese chives	FooDB	34893796
Plant	Not Available	Chives	FooDB	DTU
Plant	Not Available	Cinnamon	FooDB	DTU
Plant	Not Available	Cloud ear fungus	FooDB	34893796
Plant	Not Available	Common cabbage	FooDB	DTU
Plant	Not Available	Common mushroom	FooDB	DTU
Plant	Not Available	Common oregano	FooDB	34893796
Plant	Not Available	Common pea	FooDB	DTU
Plant	Not Available	Common salsify	FooDB	34893796
Plant	Not Available	Common thyme	FooDB	34893796
Plant	Not Available	Dandelion	FooDB	34893796
Plant	Not Available	Dill	FooDB	DTU
Plant	Not Available	Dock	FooDB	34893796
Plant	Not Available	Endive	FooDB	DTU
Plant	Not Available	Epazote	FooDB	34893796
Plant	Not Available	Feijoa	FooDB	34893796
Plant	Not Available	French plantain	FooDB	DTU
Plant	Not Available	Garden cress	FooDB	DTU
Plant	Not Available	Garden onion	FooDB	34893796
Plant	Not Available	Garden rhubarb	FooDB	DTU
Plant	Not Available	Garland chrysanthemum	FooDB	34893796
Plant	Not Available	Garlic	FooDB	DTU
Plant	Not Available	Giant butterbur	FooDB	34893796
Plant	Not Available	Globe artichoke	FooDB	DTU
Plant	Not Available	Green cabbage	FooDB	34893796
Plant	Not Available	Horseradish	FooDB	DTU
Plant	Not Available	Ice queen lettuce	FooDB	34893796
Plant	Not Available	Italian oregano	FooDB	34893796
Plant	Not Available	Jackfruit	FooDB	34893796
Plant	Not Available	Jerusalem artichoke	FooDB	DTU
Plant	Not Available	Jew's ear	FooDB	34893796
Plant	Not Available	Jicama	FooDB	34893796
Plant	Not Available	Jute	FooDB	34893796
Plant	Not Available	Kale	FooDB	DTU
Plant	Not Available	Kohlrabi	FooDB	DTU
Plant	Not Available	Lambsquarters	FooDB	34893796
Plant	Not Available	Lemon grass	FooDB	34893796
Plant	Not Available	Lentils	FooDB	DTU
Plant	Not Available	Lettuce	FooDB	DTU
Plant	Not Available	Loquat	FooDB	DTU
Plant	Not Available	Maitake	FooDB	34893796
Plant	Not Available	Mamey sapote	FooDB	34893796
Plant	Not Available	Mexican oregano	FooDB	34893796
Plant	Not Available	Morchella (morel)	FooDB	34893796
Plant	Not Available	Mountain yam	FooDB	34893796
Plant	Not Available	Mustard spinach	FooDB	34893796
Plant	Not Available	Nance	FooDB	34893796
Plant	Not Available	New zealand spinach	FooDB	34893796
Plant	Not Available	Nopal	FooDB	34893796
Plant	Not Available	Nutmeg	FooDB	DTU
Plant	Not Available	Okra	FooDB	DTU
Plant	Not Available	Oyster mushroom	FooDB	DTU
Plant	Not Available	Pak choy	FooDB	DTU
Plant	Not Available	Palm hearts	FooDB	34893796
Plant	Not Available	Papaya	FooDB	DTU
Plant	Not Available	Parsley	FooDB	DTU
Plant	Not Available	Parsnip	FooDB	DTU
Plant	Not Available	Peanut	FooDB	34893796
Plant	Not Available	Pepper (spice)	FooDB	DTU
Plant	Not Available	Peppermint	FooDB	34893796
Plant	Not Available	Potato	FooDB	DTU
Plant	Not Available	Prairie turnip	FooDB	34893796
Plant	Not Available	Purslane	FooDB	34893796
Plant	Not Available	Quinoa	FooDB	34893796
Plant	Not Available	Red wine	FooDB	DTU
Plant	Not Available	Rice	FooDB	34893796
Plant	Not Available	Robusta coffee	FooDB	DTU
Plant	Not Available	Rocket salad (ssp.)	FooDB	34893796
Plant	Not Available	Romaine lettuce	FooDB	DTU
Plant	Not Available	Rose wine	FooDB	DTU
Plant	Not Available	Rosemary	FooDB	34893796
Plant	Not Available	Round kumquat	FooDB	DTU
Plant	Not Available	Saffron	FooDB	34893796
Plant	Not Available	Sapodilla	FooDB	34893796
Plant	Not Available	Savoy cabbage	FooDB	DTU
Plant	Not Available	Shallot	FooDB	34893796
Plant	Not Available	Shiitake	FooDB	34893796
Plant	Not Available	Sorrel	FooDB	DTU
Plant	Not Available	Soy bean	FooDB	DTU
Plant	Not Available	Spearmint	FooDB	34893796
Plant	Not Available	Spinach	FooDB	DTU
Plant	Not Available	Swamp cabbage	FooDB	34893796
Plant	Not Available	Swede	FooDB	DTU
Plant	Not Available	Sweet basil	FooDB	34893796
Plant	Not Available	Sweet marjoram	FooDB	34893796
Plant	Not Available	Sweet potato	FooDB	DTU
Plant	Not Available	Swiss chard	FooDB	DTU
Plant	Not Available	Tamarind	FooDB	34893796
Plant	Not Available	Taro	FooDB	34893796
Plant	Not Available	Turnip	FooDB	DTU
Plant	Not Available	Vanilla	FooDB	34893796
Plant	Not Available	Wasabi	FooDB	34893796
Plant	Not Available	Watercress	FooDB	DTU
Plant	Not Available	Welsh onion	FooDB	34893796
Plant	Not Available	Whisky	FooDB	DTU
Plant	Not Available	White cabbage	FooDB	DTU
Plant	Not Available	White wine	FooDB	DTU
Plant	Not Available	Wild celery	FooDB	DTU
Plant	Not Available	Wild leek	FooDB	DTU
Plant	Not Available	Yardlong bean	FooDB	34893796
Plant	Not Available	Yautia	FooDB	34893796
Plant	Bean	Common bean	FooDB	DTU
Plant	Bean sprout	Common bean	FooDB	DTU
Plant	Bean sprout	Mung bean	FooDB	DTU
Animal	Brain	Cow	FooDB	34893796
Plant	Bud	Garland chrysanthemum	FooDB	DUKE
Plant	Bulb	Fennel	FooDB	34893796
Plant	Bulb and lower leaf-portion	Wild leek	FooDB	34893796
Plant	Cocoa products	Cocoa bean	FooDB	DTU
Plant	Coffee	Arabica coffee	FooDB	DTU
Plant	Coffee	Robusta coffee	FooDB	DTU
Animal	Egg	Anser	FooDB	DTU
Animal	Egg	Chicken	FooDB	DTU
Animal	Egg	Mallard duck	FooDB	DTU
Animal	Egg	Whitefish	FooDB	34893796
Animal	Fat	Anser	FooDB	DTU
Animal	Fat	Cow	FooDB	DTU
Animal	Fat	Domestic pig	FooDB	DTU
Animal	Fat	Wild boar	FooDB	DTU
Animal	Fillet	Blue whiting	FooDB	DTU
Animal	Fillet	Catfish	FooDB	DTU
Animal	Fillet	Common ling	FooDB	DTU
Animal	Fillet	Gadus (common cod)	FooDB	DTU
Animal	Fillet	Norway haddock	FooDB	DTU
Animal	Fillet	Pollock	FooDB	DTU
Animal	Fllet	Gadus (common cod)	FooDB	DTU
Plant	Flour	Arrowroot	FooDB	34893796
Plant	Flour	Carob	FooDB	34893796
Plant	Flour	Chickpea	FooDB	34893796
Plant	Flour	Peanut	FooDB	34893796
Plant	Flour	Potato	FooDB	DTU
Plant	Flour	Soy bean	FooDB	DTU
Plant	Flower	Sesbania flower	FooDB	34893796
Plant	Fruit	Acerola	FooDB	34893796
Plant	Fruit	Acorn squash	FooDB	34893796
Plant	Fruit	Alaska blueberry	FooDB	34893796
Plant	Fruit	American cranberry	FooDB	DUKE
Plant	Fruit	Apple	FooDB	DTU
Plant	Fruit	Apricot	FooDB	DTU
Plant	Fruit	Asian pear	FooDB	34893796
Plant	Fruit	Avocado	FooDB	DTU
Plant	Fruit	Bilberry	FooDB	DTU
Plant	Fruit	Bitter gourd	FooDB	34893796
Plant	Fruit	Blackcurrant	FooDB	DTU
Plant	Fruit	Breadfruit	FooDB	34893796
Plant	Fruit	Butternut squash	FooDB	34893796
Plant	Fruit	Calabash	FooDB	DUKE
Plant	Fruit	Cantaloupe melon	FooDB	34893796
Plant	Fruit	Chayote	FooDB	DTU
Plant	Fruit	Clementine	FooDB	34893796
Plant	Fruit	Coconut	FooDB	DTU
Plant	Fruit	Common chokecherry	FooDB	34893796
Plant	Fruit	Common grape	FooDB	DUKE
Plant	Fruit	Cucumber	FooDB	DTU
Plant	Fruit	Cucurbita	FooDB	DTU
Plant	Fruit	Custard apple	FooDB	34893796
Plant	Fruit	Date	FooDB	DTU
Plant	Fruit	Durian	FooDB	34893796
Plant	Fruit	Eggplant	FooDB	DTU
Plant	Fruit	Elderberry	FooDB	DTU
Plant	Fruit	European plum	FooDB	DTU
Plant	Fruit	Fig	FooDB	DTU
Plant	Fruit	Garden tomato	FooDB	DTU
Plant	Fruit	Garden tomato (var.)	FooDB	DUKE
Plant	Fruit	Gooseberry	FooDB	DTU
Plant	Fruit	Grape	FooDB	DTU
Plant	Fruit	Grapefruit	FooDB	DTU
Plant	Fruit	Grapefruit/pummelo hybrid	FooDB	34893796
Plant	Fruit	Green zucchini	FooDB	DTU
Plant	Fruit	Groundcherry	FooDB	DTU
Plant	Fruit	Guava	FooDB	DTU
Plant	Fruit	Highbush blueberry	FooDB	DUKE
Plant	Fruit	Horned melon	FooDB	34893796
Plant	Fruit	Jalapeno	FooDB	34893796
Plant	Fruit	Japanese persimmon	FooDB	34893796
Plant	Fruit	Java plum	FooDB	DUKE
Plant	Fruit	Kiwi	FooDB	DTU
Plant	Fruit	Lemon	FooDB	DTU
Plant	Fruit	Lichee	FooDB	DTU
Plant	Fruit	Lime	FooDB	DTU
Plant	Fruit	Lingonberry	FooDB	DTU
Plant	Fruit	Loganberry	FooDB	DTU
Plant	Fruit	Malus (crab apple)	FooDB	DTU
Plant	Fruit	Mandarin orange (clementine, tangerine)	FooDB	DTU
Plant	Fruit	Mango	FooDB	DTU
Plant	Fruit	Monk fruit	FooDB	34893796
Plant	Fruit	Muscadine grape	FooDB	34893796
Plant	Fruit	Muskmelon	FooDB	DTU
Plant	Fruit	Nectarine	FooDB	DTU
Plant	Fruit	Passion fruit	FooDB	DTU
Plant	Fruit	Peach	FooDB	DTU
Plant	Fruit	Peach (var.)	FooDB	34893796
Plant	Fruit	Pear	FooDB	DTU
Plant	Fruit	Pepper	FooDB	All-Creatures
Plant	Fruit	Pepper (c. frutescens)	FooDB	DUKE
Plant	Fruit	Persian lime	FooDB	34893796
Plant	Fruit	Persimmon	FooDB	DTU
Plant	Fruit	Pineapple	FooDB	DTU
Plant	Fruit	Plums	FooDB	34893796
Plant	Fruit	Pomegranate	FooDB	DTU
Plant	Fruit	Prickly pear	FooDB	DTU
Plant	Fruit	Prunus (cherry, plum)	FooDB	DTU
Plant	Fruit	Quince	FooDB	DTU
Plant	Fruit	Raisins	FooDB	34893796
Plant	Fruit	Redcurrant	FooDB	DTU
Plant	Fruit	Rose hip	FooDB	DTU
Plant	Fruit	Salmonberry	FooDB	34893796
Plant	Fruit	Saskatoon berry	FooDB	Wikipedia
Plant	Fruit	Sour cherry	FooDB	DUKE
Plant	Fruit	Soursop	FooDB	34893796
Plant	Fruit	Star fruit	FooDB	DTU
Plant	Fruit	Strawberry	FooDB	DTU
Plant	Fruit	Sunburst squash (pattypan squash)	FooDB	DTU
Plant	Fruit	Sweet orange	FooDB	DTU
Plant	Fruit	Tamarind	FooDB	DTU
Plant	Fruit	Tinda	FooDB	34893796
Plant	Fruit	Vaccinium (blueberry, cranberry, huckleberry)	FooDB	DTU
Plant	Fruit	Watermelon	FooDB	DTU
Plant	Fruit	Wax gourd	FooDB	34893796
Plant	Fruit	Winter squash	FooDB	CalorieSlism
Plant	Ground	Allspice	FooDB	34893796
Plant	Ground	Cinnamon	FooDB	34893796
Plant	Ground	Cloves	FooDB	34893796
Plant	Ground	Nutmeg	FooDB	34893796
Plant	Ground	Turmeric	FooDB	34893796
Animal	Hand	Pig	FooDB	DTU
Animal	Hand with rind	Pig	FooDB	DTU
Animal	Heart	Chicken	FooDB	DTU
Animal	Heart	Cow	FooDB	DTU
Animal	Heart	Pig	FooDB	DTU
Animal	Hind leg without rind	Pig	FooDB	DTU
Plant	Juice	American cranberry	FooDB	34893796
Plant	Juice	Blackcurrant	FooDB	DTU
Plant	Juice	Elderberry	FooDB	DTU
Plant	Juice	Grape	FooDB	DTU
Plant	Juice	Lemon	FooDB	DTU
Plant	Juice	Prunus (cherry, plum)	FooDB	DTU
Plant	Juice	Strawberry	FooDB	DTU
Animal	Kidney	Cow	FooDB	DTU
Animal	Kidney	Pig	FooDB	DTU
Plant	Leaves	Amaranth	FooDB	DUKE
Plant	Leaves	Brussel sprouts	FooDB	DUKE
Plant	Leaves	Cabbage	FooDB	DUKE
Plant	Leaves	Celery leaves	FooDB	DTU
Plant	Leaves	Coriander	FooDB	DTU
Plant	Leaves	Dandelion	FooDB	DTU
Plant	Leaves	Endive	FooDB	DUKE
Plant	Leaves	Fireweed	FooDB	34893796
Plant	Leaves	Jute	FooDB	DUKE
Plant	Leaves	Tea	FooDB	DTU
Plant	Leaves	White cabbage	FooDB	DUKE
Animal	Leg	Cow	FooDB	34893796
Animal	Leg	True frog	FooDB	DTU
Animal	Leg meat	Pig	FooDB	DTU
Animal	Leg with knuckle	Pig	FooDB	DTU
Animal	Liver	Chicken	FooDB	DTU
Animal	Liver	Cow	FooDB	DTU
Animal	Liver	Duck	FooDB	DTU
Animal	Liver	Gadus (common cod)	FooDB	DTU
Animal	Liver	Goose	FooDB	DTU
Animal	Liver	Pig	FooDB	DTU
Animal	Lung	Cow	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat and skin	Duck	FooDB	DTU
Animal	Meat and skin	Goose	FooDB	DTU
Animal	Meat and skin	Pig	FooDB	DTU
Animal	Meat and skin	Squab	FooDB	34893796
Animal	Meat and skin	Turkey	FooDB	DTU
Animal	Milk	Cow	FooDB	30994344
Animal	Milk	Domestic goat	FooDB	DTU
Animal	Milk	Human	FooDB	DTU
Animal	Neck	Pig	FooDB	DTU
Plant	Nut	Acorn	FooDB	34893796
Plant	Nut	Almond	FooDB	34893796
Plant	Nut	Beech nut	FooDB	34893796
Plant	Nut	Black walnut	FooDB	34893796
Plant	Nut	Brazil nut	FooDB	DTU
Plant	Nut	Butternut	FooDB	34893796
Plant	Nut	Chestnut	FooDB	DTU
Plant	Nut	Chinese chestnut	FooDB	34893796
Plant	Nut	Coconut	FooDB	34893796
Plant	Nut	Colorado pinyon	FooDB	34893796
Plant	Nut	Common hazelnut	FooDB	34893796
Plant	Nut	Common walnut	FooDB	34893796
Plant	Nut	European chestnut	FooDB	34893796
Plant	Nut	Ginkgo nuts	FooDB	34893796
Plant	Nut	Hazelnut	FooDB	DTU
Plant	Nut	Hickory nut	FooDB	34893796
Plant	Nut	Japanese chestnut	FooDB	34893796
Plant	Nut	Macadamia nut	FooDB	34893796
Plant	Nut	Macadamia nut (m. tetraphylla)	FooDB	34893796
Plant	Nut	Peanut	FooDB	DTU
Plant	Nut	Pecan nut	FooDB	DTU
Plant	Nut	Pili nut	FooDB	34893796
Plant	Nut	Pine nut	FooDB	DTU
Plant	Nut	Pistachio	FooDB	DTU
Plant	Nut	Walnut	FooDB	34893796
Animal	Oil	Gadus (common cod)	FooDB	DTU
Animal	Oil	Haddock	FooDB	DTU
Plant	Oil	Avocado	FooDB	34893796
Plant	Oil	Canola oil	FooDB	34893796
Plant	Oil	Coconut	FooDB	DTU
Plant	Oil	Cottonseed	FooDB	DTU
Plant	Oil	Cottonseed oil	FooDB	34893796
Plant	Oil	Flaxseed	FooDB	DTU
Plant	Oil	Grapeseed oil	FooDB	34893796
Plant	Oil	Oil palm	FooDB	DTU
Plant	Oil	Olive	FooDB	DTU
Plant	Oil	Peanut	FooDB	DTU
Plant	Oil	Rape	FooDB	DTU
Plant	Oil	Safflower	FooDB	DTU
Plant	Oil	Sesame	FooDB	DTU
Plant	Oil	Soy bean	FooDB	DTU
Plant	Oil	Sunflower	FooDB	DTU
Plant	Oil	Thistle	FooDB	DTU
Plant	Oil	Ucuhuba	FooDB	34893796
Plant	Oil	Walnut	FooDB	DTU
Animal	Pancreas	Cow	FooDB	34893796
Plant	Peel	Lemon	FooDB	DTU
Plant	Plant	Fenugreek	FooDB	DUKE
Plant	Plant	Parsley	FooDB	DUKE
Plant	Plant	Spinach	FooDB	DUKE
Plant	Powder	Garlic	FooDB	DTU
Plant	Powder	Rose hip	FooDB	DTU
Plant	Pulp	Naranjilla	FooDB	34893796
Animal	Rib	Cow	FooDB	34893796
Animal	Rib	Pig	FooDB	DTU
Animal	Roe	Fish	FooDB	34893796
Animal	Roe	Gadus (common cod)	FooDB	DTU
Plant	Root	Burdock	FooDB	34893796
Plant	Root	Carrot	FooDB	DTU
Plant	Root	Chicory roots	FooDB	34893796
Plant	Root	Common beet	FooDB	34893796
Plant	Root	Daikon radish	FooDB	DTU
Plant	Root	Fennel	FooDB	DTU
Plant	Root	Ginger	FooDB	DTU
Plant	Root	Horseradish	FooDB	DTU
Plant	Root	Lotus	FooDB	34893796
Plant	Root	Parsley	FooDB	DTU
Plant	Root	Parsnip	FooDB	DUKE
Plant	Root	Radish	FooDB	DUKE
Plant	Root	Red beetroot	FooDB	DTU
Plant	Root	Sweet potato	FooDB	DUKE
Plant	Root	Wasabi	FooDB	34893796
Plant	Root	Wild carrot	FooDB	DUKE
Plant	Seed	Adzuki bean	FooDB	DTU
Plant	Seed	Alfalfa	FooDB	DTU
Plant	Seed	Almond	FooDB	DUKE
Plant	Seed	Amaranth	FooDB	34893796
Plant	Seed	Anise	FooDB	34893796
Plant	Seed	Black-eyed pea	FooDB	34893796
Plant	Seed	Breadnut tree seed	FooDB	34893796
Plant	Seed	Broad bean	FooDB	34893796
Plant	Seed	Caraway	FooDB	34893796
Plant	Seed	Cashew nut	FooDB	DUKE
Plant	Seed	Catjang pea	FooDB	34893796
Plant	Seed	Chia	FooDB	34893796
Plant	Seed	Chickpea	FooDB	DTU
Plant	Seed	Common bean	FooDB	DTU
Plant	Seed	Common hazelnut	FooDB	DUKE
Plant	Seed	Common pea	FooDB	DTU
Plant	Seed	Common walnut	FooDB	DUKE
Plant	Seed	Coriander	FooDB	DTU
Plant	Seed	Cottonseed	FooDB	DUKE
Plant	Seed	Cowpea	FooDB	34893796
Plant	Seed	Cumin	FooDB	34893796
Plant	Seed	Fennel	FooDB	DTU
Plant	Seed	Fenugreek	FooDB	34893796
Plant	Seed	Flaxseed	FooDB	DTU
Plant	Seed	Gram bean	FooDB	DUKE
Plant	Seed	Hyacinth bean	FooDB	34893796
Plant	Seed	Lentils	FooDB	DUKE
Plant	Seed	Lima bean	FooDB	34893796
Plant	Seed	Lupine	FooDB	34893796
Plant	Seed	Moth bean	FooDB	34893796
Plant	Seed	Mung bean	FooDB	DTU
Plant	Seed	Peanut	FooDB	DUKE
Plant	Seed	Peas	FooDB	34893796
Plant	Seed	Pigeon pea	FooDB	34893796
Plant	Seed	Pistachio	FooDB	DUKE
Plant	Seed	Poppy	FooDB	DTU
Plant	Seed	Sesame	FooDB	DTU
Plant	Seed	Soy bean	FooDB	DTU
Plant	Seed	Star anise	FooDB	34893796
Plant	Seed	Sunburst squash (pattypan squash)	FooDB	34893796
Plant	Seed	Sunflower	FooDB	DTU
Plant	Seed	White lupine	FooDB	34893796
Plant	Seed	Winged bean	FooDB	DUKE
Plant	Seed	Winter squash	FooDB	34893796
Plant	Seed	Yardlong bean	FooDB	DUKE
Plant	Seed	Yellow pond-lily	FooDB	34893796
Plant	Seed oil	Grape	FooDB	DTU
Plant	Shoot	Asparagus	FooDB	DTU
Plant	Shoot	Bamboo shoots	FooDB	DTU
Plant	Shoot	Celeriac	FooDB	DTU
Plant	Shoot	Narrowleaf cattail	FooDB	34893796
Animal	Shoulder	Cow	FooDB	34893796
Animal	Shoulder	Pig	FooDB	DTU
Animal	Skin	Pig	FooDB	34893796
Animal	Spleen	Cow	FooDB	34893796
Plant	Sprout	Alfalfa	FooDB	34893796
Plant	Sprout	Soy bean	FooDB	DTU
Plant	Sprout seedling	Common bean	FooDB	DUKE
Plant	Sprout seedling	Lentils	FooDB	DUKE
Plant	Sprout seedling	Mung bean	FooDB	DUKE
Animal	Suet	Cow	FooDB	34893796
Plant	Tea	German camomile	FooDB	34893796
Plant	Tea	Hibiscus tea	FooDB	34893796
Plant	Tea	Tea	FooDB	34893796
Animal	Thymus	Cow	FooDB	DTU
Animal	Thymus	Sheep (mutton, lamb)	FooDB	DTU
Animal	Tongue	Cow	FooDB	DTU
Animal	Tongue	Pig	FooDB	DTU
Animal	Tripe	Cow	FooDB	34893796
Plant	Tuber	Yam	FooDB	DTU
Animal	Meat	See All	FooDB	34893796

Source Type	Source Sub-type	Source Name	Data Source	Reference
Animal	Meat	African ostrich	FooDB	34893796
Animal	Meat	Beefalo	FooDB	34893796
Animal	Meat	Bison	FooDB	34893796
Animal	Meat	Buffalo	FooDB	34893796
Animal	Meat	Chicken	FooDB	DTU
Animal	Meat	Cow	FooDB	DTU
Animal	Meat	Crab	FooDB	DTU
Animal	Meat	Deer	FooDB	34893796
Animal	Meat	Domestic goat	FooDB	34893796
Animal	Meat	Domestic pigeon	FooDB	34893796
Animal	Meat	Duck	FooDB	DTU
Animal	Meat	Elk	FooDB	34893796
Animal	Meat	Emu	FooDB	34893796
Animal	Meat	Goose	FooDB	DTU
Animal	Meat	Helmeted guineafowl	FooDB	34893796
Animal	Meat	Pheasant	FooDB	34893796
Animal	Meat	Pig	FooDB	DTU
Animal	Meat	Quail	FooDB	34893796
Animal	Meat	Rabbit	FooDB	DTU
Animal	Meat	Rock ptarmigan	FooDB	DTU
Animal	Meat	Sheep (mutton, lamb)	FooDB	DTU
Animal	Meat	Squab	FooDB	DTU
Animal	Meat	Turkey	FooDB	DTU

Other Exposures

Source Type	Data Source	Reference
Drugs	U.S. Environmental Protection Agency	CompTox
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0056	0.005			uM	Adult (>18 years old)	Both	Alzheimer's disease	HMDB	11959400
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.008	0.0011			uM	Elderly (>65 years old)	Both	Alzheimer's disease	HMDB	11959400
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0203	0.0017			uM	Adult (>18 years old)	Not Specified	Alzheimer's disease	HMDB	21474939
Human Blood	Detected and Quantified	0.0097				uM	Adult (>18 years old)	Male	Dimethylglycinuria	HMDB	10102904
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0209	0.00703			uM	Adult (>18 years old)	Not Specified	fibromyalgia	HMDB	20087382
Human Blood	Detected and Quantified	0.00131				uM	Infant (0-1 year old)	Male	Hereditary folate malabsorption	HMDB	20005757
Human Blood	Detected and Quantified	0.00204				uM	Infant (0-1 year old)	Female	Hereditary folate malabsorption	HMDB	3987728
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.00612				uM	Children (1-13 years old)	Male	Hereditary folate malabsorption	HMDB	20005757
Human Blood	Detected and Quantified	0.023		0.019	0.028	uM	Adult (>18 years old)	Both	Rheumatoid arthritis	HMDB	16277678
Human Blood	Detected and Quantified	0.023		0.020	0.026	uM	Adult (>18 years old)	Both	Rheumatoid arthritis	HMDB	16277678
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0544				uM	Children (1-13 years old)	Not Specified	Normal	HMDB	20005757
Human Urine	Detected and Quantified	< 0.01				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15321809
Human Blood	Detected and Quantified			0.00400	0.0150	uM	Adult (>18 years old)	Not Specified	Normal	HMDB	10102904
Human Blood	Detected and Quantified			0.00544	0.0272	uM	Infant (0-1 year old)	Not Specified	Normal	HMDB	20005757
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.006	0.0005			uM	Elderly (>65 years old)	Both	Normal	HMDB	11959400
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0078	0.0011			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	11959400
Human Blood	Detected and Quantified	0.016	0.0049			uM	Adult (>18 years old)	Both	Normal	HMDB	16871332
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0202	0.00567			uM	Adult (>18 years old)	Female	Normal	HMDB	20087382
Human Blood	Detected and Quantified	0.021		0.017	0.025	uM	Adult (>18 years old)	Both	Normal	HMDB	16277678
Human Blood	Detected and Quantified	0.023		0.002	0.045	uM	Children (1-13 years old)	Both	Normal	HMDB	16690175
Human Blood	Detected and Quantified			0.0295	0.0340	uM	Infant (0-1 year old)	Not Specified	Normal	HMDB	3987728
Human Blood	Detected and Quantified	0.003		0.0	0.007	uM	Adult (>18 years old)	Both	Folate deficiency	HMDB	Wu AHB. Tietz clinical guide to laboratory tests. 4th ed. St. Louis: Saunders/Elsevier. 2006.
Human Blood	Detected and Quantified	0.0088				uM	Children (1 - <3 years old)	Both	Normal	HMDB	CALIPER Paediatric Reference Intervals
Human Blood	Detected and Quantified	0.0179				uM	Adolescent (14 - <19 years old	Both	Normal	HMDB	CALIPER Paediatric Reference Intervals
Human Blood	Detected and Quantified	0.024				uM	Infant (5 days - <1 year old)	Both	Normal	HMDB	CALIPER Paediatric Reference Intervals
Human Blood	Detected and Quantified	0.0258				uM	Children (8 - <12 years old)	Both	Normal	HMDB	CALIPER Paediatric Reference Intervals
Human Blood	Detected and Quantified	0.027				uM	Children (3 - <6 years old)	Both	Normal	HMDB	CALIPER Paediatric Reference Intervals
Human Blood	Detected and Quantified	0.027				uM	Adolescent (12 - <14 years old)	Both	Normal	HMDB	CALIPER Paediatric Reference Intervals
Human Blood	Detected and Quantified	0.0297				uM	Children (6 - <8 years old)	Both	Normal	HMDB	CALIPER Paediatric Reference Intervals
Human Urine	Detected and Quantified	0.00065		0.000092	0.0013	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	0.0014		0.000013	0.0026	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	0.009		0.0024	0.024	uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	0.009		0.0026	0.026	uM	Adult (>18 years old)	Female	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	0.011		0.004	0.028	uM	Children (1-13 years old)	Not Specified	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	0.039		0.01	0.14	uM	Newborn (0-30 days old)	Not Specified	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.053	0.024			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Cellular cytoplasm	Detected and Quantified	0.453	0.131			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Cellular cytoplasm	Detected and Quantified	0.735	0.202			uM	Newborn (0-30 days old)	Not Specified	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Cellular cytoplasm	Detected and Quantified	> 0.35				uM	Adult (>18 years old)	Both	Normal	HMDB	Merck Manual of Diagnosis and Therapy.
Human Blood	Detected and Quantified	0.02		0.011	0.036	uM	Adult (>18 years old)	Both	Normal	HMDB	Wu AHB. Tietz clinical guide to laboratory tests. 4th ed. St. Louis: Saunders/Elsevier. 2006.
Human Brain	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Erythrocyte	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000121

DrugBank ID

DB00158

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

27470

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

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Gregory JF 3rd, Williamson J, Liao JF, Bailey LB, Toth JP: Kinetic model of folate metabolism in nonpregnant women consuming [2H2]folic acid: isotopic labeling of urinary folate and the catabolite para-acetamidobenzoylglutamate indicates slow, intake-dependent, turnover of folate pools. J Nutr. 1998 Nov;128(11):1896-906. doi: 10.1093/jn/128.11.1896. [PubMed:9808640 ]
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Gregory JF 3rd, Williamson J, Bailey LB, Toth JP: Urinary excretion of [2H4]folate by nonpregnant women following a single oral dose of [2H4]folic acid is a functional index of folate nutritional status. J Nutr. 1998 Nov;128(11):1907-12. doi: 10.1093/jn/128.11.1907. [PubMed:9808641 ]
Dietrich M, Brown CJ, Block G: The effect of folate fortification of cereal-grain products on blood folate status, dietary folate intake, and dietary folate sources among adult non-supplement users in the United States. J Am Coll Nutr. 2005 Aug;24(4):266-74. doi: 10.1080/07315724.2005.10719474. [PubMed:16093404 ]
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Clifford AJ, Arjomand A, Dueker SR, Schneider PD, Buchholz BA, Vogel JS: The dynamics of folic acid metabolism in an adult given a small tracer dose of 14C-folic acid. Adv Exp Med Biol. 1998;445:239-51. doi: 10.1007/978-1-4899-1959-5_15. [PubMed:9781393 ]
Olthof MR, Bots ML, Katan MB, Verhoef P: Effect of folic acid and betaine supplementation on flow-mediated dilation: a randomized, controlled study in healthy volunteers. PLoS Clin Trials. 2006 Jun;1(2):e10. doi: 10.1371/journal.pctr.0010010. Epub 2006 Jun 9. [PubMed:16871332 ]
Stern LL, Bagley PJ, Rosenberg IH, Selhub J: Conversion of 5-formyltetrahydrofolic acid to 5-methyltetrahydrofolic acid is unimpaired in folate-adequate persons homozygous for the C677T mutation in the methylenetetrahydrofolate reductase gene. J Nutr. 2000 Sep;130(9):2238-42. doi: 10.1093/jn/130.9.2238. [PubMed:10958818 ]
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Bibbins-Domingo K, Grossman DC, Curry SJ, Davidson KW, Epling JW Jr, Garcia FA, Kemper AR, Krist AH, Kurth AE, Landefeld CS, Mangione CM, Phillips WR, Phipps MG, Pignone MP, Silverstein M, Tseng CW: Folic Acid Supplementation for the Prevention of Neural Tube Defects: US Preventive Services Task Force Recommendation Statement. JAMA. 2017 Jan 10;317(2):183-189. doi: 10.1001/jama.2016.19438. [PubMed:28097362 ]

Showing metabocard for Folic acid (MMDBc0000032)

MOL for #<Metabolite:0x00007f9af3bd94e0>

3D MOL for #<Metabolite:0x00007f9af3bd94e0>

3D SDF for #<Metabolite:0x00007f9af3bd94e0>

3D-SDF for #<Metabolite:0x00007f9af3bd94e0>

PDB for #<Metabolite:0x00007f9af3bd94e0>

3D PDB for #<Metabolite:0x00007f9af3bd94e0>

SMILES for #<Metabolite:0x00007f9af3bd94e0>

INCHI for #<Metabolite:0x00007f9af3bd94e0>

Structure for #<Metabolite:0x00007f9af3bd94e0>

3D Structure for #<Metabolite:0x00007f9af3bd94e0>