MiMeDB: Showing metabocard for Heme D (MMDBc0030193)

Microbial

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:57:49 UTC

Update Date

2024-10-13 09:03:16 UTC

Metabolite ID

MMDBc0030193

Metabolite Identification

Common Name

Heme D

Description

Heme D is a member of the chemical class known as tetrapyrroles and Derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. (inferred from compound structure). A heme (American English) or haem (British English) is a prosthetic group that consists of an iron atom contained in the center of a large heterocyclic organic ring called a porphyrin. Heme D is a derivative of heme B, but in which the propionic acid side chain at the carbon of position 6, which is also hydroxylated, forms a √é¬≥-spirolactone. Ring III is also hydroxylated at position 5, in a conformation trans to the new lactone group. Heme D is the site for oxygen reduction to water of many types of bacteria at low oxygen tension. In E coli, heme D is formed from protoheme in the interior of the catalase hydroperoxidase II (HPII) molecule through a self-catalyzed reaction. [PMID: 8621527 ]

Structure

MOL SDF PDB SMILES InChI

3582
  Mrv0541 10121212592D          

 48 52  0  0  1  0            999 V2000
    3.4200    1.3693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4437    3.5831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506   -0.4512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4157    4.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067   -1.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7089    3.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3127   -4.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9269   -0.2775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4635   -3.9606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -1.4185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431    0.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5558    1.5866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5835   -0.6730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8224    0.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0765    0.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1428    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749   -0.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8942    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0765    0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9688    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1378    3.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -0.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959    1.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3567    3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2451    2.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1235   -0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9219   -1.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9964   -1.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705   -1.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2451   -1.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2906    1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3183   -0.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0904    0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0435    1.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0904    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0710   -0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4854   -2.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7711   -0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7492   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4208    4.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6171   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7468    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1545   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5087   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6436   -4.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1674   -0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 22  2  0  0  0  0
  3 40  1  0  0  0  0
  4 42  1  0  0  0  0
  5 40  2  0  0  0  0
  6 42  2  0  0  0  0
  7 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 47  2  0  0  0  0
 10 48  2  0  0  0  0
 11 17  1  0  0  0  0
 11 21  2  0  0  0  0
 12 18  1  0  0  0  0
 12 27  2  0  0  0  0
 13 29  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 26  1  0  0  0  0
 17 28  2  0  0  0  0
 18 25  2  0  0  0  0
 19 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 42  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 39  1  0  0  0  0
 31 43  1  0  0  0  0
 32 38  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  2  0  0  0  0
 35 37  2  0  0  0  0
 35 41  1  0  0  0  0
 37 44  1  0  0  0  0
 39 45  1  0  0  0  0
 41 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
M  END

3582
  Mrv0541 10121212592D          

 48 52  0  0  1  0            999 V2000
    3.4200    1.3693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4437    3.5831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506   -0.4512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4157    4.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067   -1.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7089    3.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3127   -4.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9269   -0.2775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4635   -3.9606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -1.4185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431    0.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5558    1.5866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5835   -0.6730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8224    0.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0765    0.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1428    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749   -0.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8942    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0765    0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9688    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1378    3.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -0.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959    1.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3567    3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2451    2.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1235   -0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9219   -1.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9964   -1.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705   -1.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2451   -1.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2906    1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3183   -0.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0904    0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0435    1.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0904    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0710   -0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4854   -2.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7711   -0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7492   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4208    4.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6171   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7468    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1545   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5087   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6436   -4.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1674   -0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 22  2  0  0  0  0
  3 40  1  0  0  0  0
  4 42  1  0  0  0  0
  5 40  2  0  0  0  0
  6 42  2  0  0  0  0
  7 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 47  2  0  0  0  0
 10 48  2  0  0  0  0
 11 17  1  0  0  0  0
 11 21  2  0  0  0  0
 12 18  1  0  0  0  0
 12 27  2  0  0  0  0
 13 29  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 26  1  0  0  0  0
 17 28  2  0  0  0  0
 18 25  2  0  0  0  0
 19 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 42  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 39  1  0  0  0  0
 31 43  1  0  0  0  0
 32 38  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  2  0  0  0  0
 35 37  2  0  0  0  0
 35 41  1  0  0  0  0
 37 44  1  0  0  0  0
 39 45  1  0  0  0  0
 41 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0030193

> <DATABASE_NAME>
MIME

> <SMILES>
CC1=C(CCC(O)=O)/C2=C/C3=C(CCC(O)=O)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(=O)C4(C)CC(O)=O)C(=O)C3(C)CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C34H34N4O10/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21/h9-12,35-36H,5-8,13-14H2,1-4H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)/b19-9-,20-11-,21-10-,22-10-,23-9-,24-12-,25-11-,26-12-

> <INCHI_KEY>
ZAKGXCNMJBQQNZ-CXJCYTKDSA-N

> <FORMULA>
C34H34N4O10

> <MOLECULAR_WEIGHT>
658.6546

> <EXACT_MASS>
658.227493328

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
68.87837631467431

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[20-(2-carboxyethyl)-10,15-bis(carboxymethyl)-5,10,15,19-tetramethyl-9,14-dioxo-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,4,6,8(23),11,13(22),16,18-nonaen-4-yl]propanoic acid

> <ALOGPS_LOGP>
2.25

> <JCHEM_LOGP>
4.444237612

> <ALOGPS_LOGS>
-4.76

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
3.656177882735768

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.249021061654203

> <JCHEM_PKA_STRONGEST_BASIC>
1.819718397283031

> <JCHEM_POLAR_SURFACE_AREA>
240.69999999999993

> <JCHEM_REFRACTIVITY>
167.6450000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.13e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[20-(2-carboxyethyl)-10,15-bis(carboxymethyl)-5,10,15,19-tetramethyl-9,14-dioxo-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,4,6,8(23),11,13(22),16,18-nonaen-4-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-OCT-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 3582                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-OCT-12         0                                  
HETATM    1  O   UNK     0       6.384   2.556   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      13.895   6.688   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       3.641  -0.842   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      10.109   9.271   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.799  -2.410   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       8.790   6.953   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      13.650  -8.974   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      22.264  -0.518   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      15.799  -7.393   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      20.658  -2.648   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0       9.974   0.853   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      12.237   2.962   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      12.289  -1.256   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      14.602   0.853   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       7.609   0.082   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.467   5.429   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.100  -0.331   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.003   3.939   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.609   1.624   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.078   0.243   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.100   2.036   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.008   5.429   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.457   6.969   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.983  -1.325   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.512   3.526   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.999   5.896   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.524   3.991   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.564  -1.769   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.054  -2.233   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.060  -3.672   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.518  -3.672   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.524  -2.182   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      15.476   2.088   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      15.527  -0.279   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      16.969   0.133   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.015   3.526   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.969   1.675   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      15.066  -1.769   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.973  -4.913   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.173  -1.003   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      18.199  -0.794   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      10.119   7.731   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.485  -4.815   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      18.194   2.608   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      13.355  -6.323   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      19.616  -0.192   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      14.268  -7.563   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      20.846  -1.119   0.000  0.00  0.00           C+0
CONECT    1   19                                                            
CONECT    2   22                                                            
CONECT    3   40                                                            
CONECT    4   42                                                            
CONECT    5   40                                                            
CONECT    6   42                                                            
CONECT    7   47                                                            
CONECT    8   48                                                            
CONECT    9   47                                                            
CONECT   10   48                                                            
CONECT   11   17   21                                                       
CONECT   12   18   27                                                       
CONECT   13   29   32                                                       
CONECT   14   33   34                                                       
CONECT   15   17   19   20   24                                             
CONECT   16   18   22   23   26                                             
CONECT   17   11   15   28                                                  
CONECT   18   12   16   25                                                  
CONECT   19    1   15   21                                                  
CONECT   20   15   40                                                       
CONECT   21   11   19   25                                                  
CONECT   22    2   16   27                                                  
CONECT   23   16   42                                                       
CONECT   24   15                                                            
CONECT   25   18   21                                                       
CONECT   26   16                                                            
CONECT   27   12   22   36                                                  
CONECT   28   17   29                                                       
CONECT   29   13   28   31                                                  
CONECT   30   31   32   39                                                  
CONECT   31   29   30   43                                                  
CONECT   32   13   30   38                                                  
CONECT   33   14   36   37                                                  
CONECT   34   14   35   38                                                  
CONECT   35   34   37   41                                                  
CONECT   36   27   33                                                       
CONECT   37   33   35   44                                                  
CONECT   38   32   34                                                       
CONECT   39   30   45                                                       
CONECT   40    3    5   20                                                  
CONECT   41   35   46                                                       
CONECT   42    4    6   23                                                  
CONECT   43   31                                                            
CONECT   44   37                                                            
CONECT   45   39   47                                                       
CONECT   46   41   48                                                       
CONECT   47    7    9   45                                                  
CONECT   48    8   10   46                                                  
MASTER        0    0    0    0    0    0    0    0   48    0  104    0
END

Synonyms

Not Available

Molecular Formula

C₃₄H₃₄N₄O₁₀

Average Mass

658.6546

Monoisotopic Mass

658.227493328

IUPAC Name

3-[20-(2-carboxyethyl)-10,15-bis(carboxymethyl)-5,10,15,19-tetramethyl-9,14-dioxo-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,4,6,8(23),11,13(22),16,18-nonaen-4-yl]propanoic acid

Traditional Name

CAS Registry Number

60318-31-2

SMILES

CC1=C(CCC(O)=O)/C2=C/C3=C(CCC(O)=O)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(=O)C4(C)CC(O)=O)C(=O)C3(C)CC(O)=O

InChI Identifier

InChI=1S/C34H34N4O10/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21/h9-12,35-36H,5-8,13-14H2,1-4H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)/b19-9-,20-11-,21-10-,22-10-,23-9-,24-12-,25-11-,26-12-

InChI Key

ZAKGXCNMJBQQNZ-CXJCYTKDSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.011 g/L	ALOGPS
logP	2.25	ALOGPS
logP	4.44	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	3.25	ChemAxon
pKa (Strongest Basic)	1.82	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	240.7 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	167.64 m³·mol⁻¹	ChemAxon
Polarizability	68.88 Å³	ChemAxon
Number of Rings	5	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 (TMS_1_3) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-006x-0000049000-d8522732d667d82e6c5e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-006t-0000093000-017f14665c351db4de30	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0uxs-0000090000-9929b674dff943dc2a7c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-06rj-0000039000-5ce0f872f6e20759c21c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000b-0000097000-e6291c1bdcc69dc05ca2	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-6000093000-70baccb3d19c3204b22e	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	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	137.5
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-23	84.5
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	658.1
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	543.8
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	566.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	186.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	2804.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	118.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	328.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	342.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	127.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	176.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	208.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-23	166.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	256.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	186.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	429.7
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1913.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	1132.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Heme D_TMS_1	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)[NH]3	standard non polar	2025-10-24	302.538
Gas Chromatography	Heme D_TMS_2	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)[NH]3	standard non polar	2025-10-24	1726.89
Gas Chromatography	Heme D_TMS_3	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)[NH]3	standard non polar	2025-10-24	2766.74
Gas Chromatography	Heme D_TMS_4	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard non polar	2025-10-24	1130.97
Gas Chromatography	Heme D_TMS_5	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	1238.49
Gas Chromatography	Heme D_TMS_6	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	2451.59
Gas Chromatography	Heme D_TMS_7	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)[NH]3	standard non polar	2025-10-24	1534.54
Gas Chromatography	Heme D_TMS_8	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O)C4=O)[NH]3	standard non polar	2025-10-24	2431.78
Gas Chromatography	Heme D_TMS_9	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)[NH]3	standard non polar	2025-10-24	3789.73
Gas Chromatography	Heme D_TMS_10	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	1332.97
Gas Chromatography	Heme D_TMS_11	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	3323.56
Gas Chromatography	Heme D_TMS_12	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)[NH]3	standard non polar	2025-10-24	3600.62
Gas Chromatography	Heme D_TMS_13	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard non polar	2025-10-24	1967.72
Gas Chromatography	Heme D_TMS_14	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	2644.11
Gas Chromatography	Heme D_TMS_15	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	948.409
Gas Chromatography	Heme D_TMS_16	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard non polar	2025-10-24	2747.91
Gas Chromatography	Heme D_TMS_17	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	3153.68
Gas Chromatography	Heme D_TMS_18	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	2076.7
Gas Chromatography	Heme D_TMS_19	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard non polar	2025-10-24	2625.81
Gas Chromatography	Heme D_TMS_20	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	2583.46
Gas Chromatography	Heme D_TMS_21	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	1256.29
Gas Chromatography	Heme D_TMS_22	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)[NH]3	standard non polar	2025-10-24	1408.96
Gas Chromatography	Heme D_TMS_23	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard non polar	2025-10-24	621.006
Gas Chromatography	Heme D_TMS_24	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	1160.87
Gas Chromatography	Heme D_TMS_25	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	3731.33
Gas Chromatography	Heme D_TMS_26	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)[NH]3	standard non polar	2025-10-24	2336.65
Gas Chromatography	Heme D_TMS_27	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	1713.73
Gas Chromatography	Heme D_TMS_28	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard non polar	2025-10-24	1696.13
Gas Chromatography	Heme D_TMS_29	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	382.134
Gas Chromatography	Heme D_TMS_30	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	3254.78
Gas Chromatography	Heme D_TMS_31	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	1429.06
Gas Chromatography	Heme D_TMS_32	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard non polar	2025-10-24	2012.23
Gas Chromatography	Heme D_TMS_33	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	31.1185
Gas Chromatography	Heme D_TMS_34	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	1615.41
Gas Chromatography	Heme D_TMS_35	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard non polar	2025-10-24	1376.97
Gas Chromatography	Heme D_TMS_36	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	578.76
Gas Chromatography	Heme D_TMS_37	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	1681.21
Gas Chromatography	Heme D_TMS_38	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard non polar	2025-10-24	1920.58
Gas Chromatography	Heme D_TMS_39	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)N3[Si](C)(C)C	standard non polar	2025-10-24	1848.92
Gas Chromatography	Heme D_TMS_40	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard non polar	2025-10-24	1721.16
Gas Chromatography	Heme D_TMS_41	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard non polar	2025-10-24	1988.23
Gas Chromatography	Heme D_TMS_1	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)[NH]3	standard polar	2025-10-24	2352.81
Gas Chromatography	Heme D_TMS_2	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)[NH]3	standard polar	2025-10-24	1860.61
Gas Chromatography	Heme D_TMS_3	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)[NH]3	standard polar	2025-10-24	2136.77
Gas Chromatography	Heme D_TMS_4	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard polar	2025-10-24	930.256
Gas Chromatography	Heme D_TMS_5	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	3969.6
Gas Chromatography	Heme D_TMS_6	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	2309.16
Gas Chromatography	Heme D_TMS_7	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)[NH]3	standard polar	2025-10-24	1781.26
Gas Chromatography	Heme D_TMS_8	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O)C4=O)[NH]3	standard polar	2025-10-24	3653.88
Gas Chromatography	Heme D_TMS_9	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)[NH]3	standard polar	2025-10-24	1503.86
Gas Chromatography	Heme D_TMS_10	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	1618.4
Gas Chromatography	Heme D_TMS_11	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	2603.1
Gas Chromatography	Heme D_TMS_12	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)[NH]3	standard polar	2025-10-24	2736.23
Gas Chromatography	Heme D_TMS_13	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard polar	2025-10-24	1926.35
Gas Chromatography	Heme D_TMS_14	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	1652.54
Gas Chromatography	Heme D_TMS_15	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	3061.07
Gas Chromatography	Heme D_TMS_16	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard polar	2025-10-24	879.718
Gas Chromatography	Heme D_TMS_17	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	3169.25
Gas Chromatography	Heme D_TMS_18	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	3803.27
Gas Chromatography	Heme D_TMS_19	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard polar	2025-10-24	2177.6
Gas Chromatography	Heme D_TMS_20	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	488.594
Gas Chromatography	Heme D_TMS_21	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	1027.2
Gas Chromatography	Heme D_TMS_22	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)[NH]3	standard polar	2025-10-24	2201.58
Gas Chromatography	Heme D_TMS_23	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard polar	2025-10-24	1464.95
Gas Chromatography	Heme D_TMS_24	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	2527.63
Gas Chromatography	Heme D_TMS_25	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	2812.14
Gas Chromatography	Heme D_TMS_26	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)[NH]3	standard polar	2025-10-24	3093.95
Gas Chromatography	Heme D_TMS_27	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	1947.08
Gas Chromatography	Heme D_TMS_28	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard polar	2025-10-24	1613.27
Gas Chromatography	Heme D_TMS_29	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	3038.94
Gas Chromatography	Heme D_TMS_30	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	2974.39
Gas Chromatography	Heme D_TMS_31	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	4056.08
Gas Chromatography	Heme D_TMS_32	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O[Si](C)(C)C)[NH]3	standard polar	2025-10-24	1833.25
Gas Chromatography	Heme D_TMS_33	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	1691.33
Gas Chromatography	Heme D_TMS_34	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	569.547
Gas Chromatography	Heme D_TMS_35	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard polar	2025-10-24	-61.2432
Gas Chromatography	Heme D_TMS_36	CC1=C(CCC(=O)O[Si](C)(C)C)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	2217.7
Gas Chromatography	Heme D_TMS_37	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	806.305
Gas Chromatography	Heme D_TMS_38	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard polar	2025-10-24	2544.68
Gas Chromatography	Heme D_TMS_39	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1[NH]2)C(C)(CC(=O)O[Si](C)(C)C)C5=O)C(C)(CC(=O)O[Si](C)(C)C)C4=O)N3[Si](C)(C)C	standard polar	2025-10-24	2830.62
Gas Chromatography	Heme D_TMS_40	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(=O)C5(C)CC(=O)O[Si](C)(C)C)C(=O)C4(C)CC(=O)O)N3[Si](C)(C)C	standard polar	2025-10-24	2266.94
Gas Chromatography	Heme D_TMS_41	CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5N=C(C=C1N2[Si](C)(C)C)C(=O)C5(C)CC(=O)O)C(=O)C4(C)CC(=O)O[Si](C)(C)C)N3[Si](C)(C)C	standard polar	2025-10-24	1999.66

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Oxidative Phosphorylation
Pyruvate to Cytochrome bd Terminal Oxidase Electron Transfer		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 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Haemophilus influenzae Haemophilus influenzae Rd KW20 Rhodospirillum rubrum ATCC 11170 Lactobacillus fermentum IFO 3956 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 Arcobacter butzleri RM4018 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 mongoliense DSM 21395 Brevibacillus brevis NBRC 100599 Campylobacter hominis ATCC BAA-381 Dysgonomonas gadei ATCC BAA-286 Eggerthella lenta DSM 2243 Enterococcus faecalis Geobacter metallireducens Gordonibacter pamelaeae 7-10-1-b Haemophilus parainfluenzae T3T1 Limosilactobacillus fermentum Lactobacillus paracasei 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 lactobacillus crispatus lactobacillus jensenii lactobacillus vaginalis Pelobacter carbinolicus Campylobacter concisus Campylobacter curvus Campylobacter rectus Campylobacter showae Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Moraxella catarrhalis Acidiphilium cryptum Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio cholerae Vibrio vulnificus Bacteroides uniformis Campylobacter gracilis Desulfovibrio salexigens Desulfovibrio piger Acidithiobacillus ferrooxidans Capnocytophaga ochracea Capnocytophaga sputigena Rhodopseudomonas palustris Chlorobium phaeobacteroides Leuconostoc mesenteroides Staphylococcus epidermidis Streptococcus agalactiae Streptococcus dysgalactiae Streptococcus uberis Enterococcus gallinarum Bacillus licheniformis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Moorella thermoacetica Weissella confusa Lactobacillus plantarum Lactobacillus gasseri Lactobacillus coryniformis Lactobacillus salivarius Listeria monocytogenes Actinomyces viscosus Cellulomonas flavigena Corynebacterium diphtheriae Corynebacterium glutamicum Mycobacterium avium Desulfobacterium autotrophicum Roseobacter denitrificans Acidothermus cellulolyticus Campylobacter upsaliensis Alistipes putredinis Staphylococcus saprophyticus Pelobacter propionicus Enterococcus avium Lactobacillus johnsonii Helicobacter pullorum Enterococcus casseliflavus Veillonella atypica Veillonella dispar Stenotrophomonas maltophilia Actinosynnema mirum Enterococcus cecorum Mitsuokella multacida Acidimicrobium ferrooxidans Desulfotomaculum reducens Burkholderia vietnamiensis Sodalis glossinidius Enterobacter cancerogenus Alloprevotella tannerae Bacillus clausii Bacillus pseudofirmus Bacillus selenitireducens Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Actinomyces urogenitalis Methylibium petroleiphilum Syntrophobacter fumaroxidans Citrobacter youngae Leuconostoc kimchii Burkholderia ambifaria Prevotella copri Alicycliphilus denitrificans Desulfovibrio magneticus Shewanella denitrificans Methylocella silvestris Bacteroides massiliensis Escherichia albertii Geobacter bemidjiensis Lactobacillus gastricus Lactobacillus antri Lactobacillus ultunensis Bacteroides nordii Bacteroides plebeius Phocaeicola coprocola Bacteroides pyogenes Geobacter lovleyi Syntrophus aciditrophicus Bacteroides intestinalis Bacteroides salanitronis Actinomyces oris Bacteroides fluxus Bacteroides oleiciplenus Bacteroides faecis Agrobacterium tumefaciens Alistipes finegoldii Alistipes shahii Bacteroides helcogenes Bacteroides xylanisolvens Campylobacter coli Campylobacter hominis Campylobacter jejuni Dysgonomonas gadei Gemella sanguinis Haemophilus parainfluenzae Klebsiella variicola Lactobacillus rhamnosus Lactococcus lactis Leuconostoc citreum Odoribacter splanchnicus Parabacteroides goldsteinii Porphyromonas asaccharolytica Prevotella ruminicola 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 Arcanobacterium haemolyticum DSM 20595 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 Bradyrhizobium japonicum USDA 110 Campylobacter jejuni subsp. jejuni 81-176 Campylobacter jejuni subsp. doylei 269.97 Campylobacter curvus 525.92 Campylobacter concisus 13826 Capnocytophaga ochracea DSM 7271 Chlamydia trachomatis D/UW-3/CX Chlamydia trachomatis A/HAR-13 Chlamydia trachomatis L2b/UCH-1/proctitis Citrobacter koseri ATCC BAA-895 Cronobacter sakazakii ATCC BAA-894 Cryptobacterium curtum DSM 15641 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 Kytococcus sedentarius DSM 20547 Lactobacillus plantarum WCFS1 Lactobacillus johnsonii NCC 533 Lactobacillus salivarius UCC118 Lactobacillus brevis ATCC 367 Lactobacillus casei ATCC 334 Lactobacillus reuteri DSM 20016 Lactobacillus reuteri SD2112 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris SK11 Lactococcus lactis subsp. cremoris MG1363 Laribacter hongkongensis HLHK9 Leuconostoc mesenteroides subsp. mesenteroides ATCC 8293 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 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 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 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 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 agalactiae NEM316 Streptococcus uberis 0140J Vibrio parahaemolyticus RIMD 2210633 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 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 Chlorobium limicola Thermodesulfovibrio yellowstonii Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Azorhizobium caulinodans Xanthobacter autotrophicus Rickettsia rickettsii Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Parasutterella excrementihominis YIT 11859 Sutterella parvirubra Sutterella parvirubra YIT 11816 Laribacter hongkongensis Methyloversatilis universalis Methyloversatilis universalis FAM5 Desulfococcus oleovorans Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Campylobacter gracilis RM3268 Campylobacter rectus RM3267 Campylobacter showae CSUNSWCD Campylobacter upsaliensis JV21 Helicobacter pullorum MIT 98-5489 Aeromonas caviae Aeromonas media Aeromonas veronii Succinatimonas hippei Succinatimonas hippei YIT 12066 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 Chlamydia trachomatis Actinomyces graevenitzii C83 Actinomyces naeslundii Actinomyces naeslundii str. Howell 279 Actinomyces urogenitalis DSM 15434 Actinomyces viscosus C505 Mobiluncus curtisii Trueperella pyogenes Bifidobacterium mongoliense Corynebacterium amycolatum Gordonia terrae C-6 Rhodococcus erythropolis Brevibacterium casei Brevibacterium casei S18 Brevibacterium linens Microbacterium oleivorans Kocuria palustris PEL Rothia aeria F0474 Cellulosimicrobium cellulans Propionibacterium Streptomyces avermitilis Thermomonospora curvata Collinsella tanakaei YIT 12063 Cryptobacterium curtum Slackia exigua ATCC 700122 Slackia piriformis YIT 12062 Bacillus altitudinis Listeria grayi Listeria grayi DSM 20601 Listeria monocytogenes 10403S Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Paenibacillus lactis 154 Gemella haemolysans ATCC 10379 Enterococcus caccae ATCC BAA-1240 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus paracasei subsp. paracasei 8700:2 Lactobacillus rhamnosus LMS2-1 Lactobacillus ultunensis DSM 16047 Lactobacillus hilgardii DSM 20176 = ATCC 8290 Lactobacillus salivarius DSM 20555 = ATCC 11741 Lactobacillus antri DSM 16041 Lactobacillus gastricus PS3 Lactobacillus mucosae LM1 Lactobacillus vaginalis DSM 5837 = ATCC 49540 Lactobacillus reuteri CF48-3A Lactobacillus reuteri MM4-1A Leuconostoc lactis Leuconostoc mesenteroides subsp. cremoris ATCC 19254 Oenococcus oeni Weissella cibaria Weissella paramesenteroides Weissella paramesenteroides ATCC 33313 Lactococcus garvieae Mitsuokella multacida DSM 20544 Veillonella atypica ACS-049-V-Sch6 Veillonella dispar ATCC 17748 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 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Eggerthella sp. YY7918 Leuconostoc citreum KM20 Acidimicrobium ferrooxidans DSM 10331 Acidothermus cellulolyticus 11B Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Bacillus selenitireducens MLS10 Beutenbergia cavernae DSM 12333 Carboxydothermus hydrogenoformans Z-2901 Catenulispora acidiphila DSM 44928 Cellulomonas flavigena DSM 20109 Clavibacter michiganensis subsp. michiganensis NCPPB 382 Conexibacter woesei DSM 14684 Corynebacterium glutamicum R Corynebacterium urealyticum DSM 7109 Deinococcus geothermalis DSM 11300 Desulfotomaculum reducens MI-1 Frankia alni ACN14a Gordonia bronchialis DSM 43247 Intrasporangium calvum DSM 43043 Jonesia denitrificans DSM 20603 Kineococcus radiotolerans SRS30216 Kribbella flavida DSM 17836 Lactobacillus johnsonii FI9785 Lactobacillus crispatus ST1 Leuconostoc kimchii IMSNU 11154 Listeria innocua Clip11262 Listeria welshimeri serovar 6b str. SLCC5334 Macrococcus caseolyticus JCSC5402 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 sp. Spyr1 Mycobacterium canettii CIPT 140010059 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Corynebacterium diphtheriae NCTC 13129 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 Saccharomonospora viridis DSM 43017 Salinispora tropica CNB-440 Sanguibacter keddieii DSM 10542 Slackia heliotrinireducens DSM 20476 Stackebrandtia nassauensis DSM 44728 Streptomyces scabiei 87.22 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Symbiobacterium thermophilum IAM 14863 Thermobispora bispora DSM 43833 Thermomonospora curvata DSM 43183 Tsukamurella paurometabola DSM 20162 Xylanimonas cellulosilytica DSM 15894 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 Bacteroides helcogenes P 36-108 Bacteroides salanitronis DSM 18170 Klebsiella aerogenes KCTC 2190 Acaryochloris marina MBIC11017 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidithiobacillus ferrooxidans ATCC 23270 Acidobacterium capsulatum ATCC 51196 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 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 Koribacter versatilis Ellin345 Candidatus Moranella endobia PCIT Candidatus Protochlamydia amoebophila UWE25 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Cellulophaga algicola DSM 14237 Cellvibrio japonicus Ueda107 Cellvibrio gilvus ATCC 13127 Chitinophaga pinensis DSM 2588 Chlamydophila caviae GPIC Chlamydophila abortus S26/3 Chlamydophila felis Fe/C-56 Chlamydophila pecorum E58 Chlorobium tepidum TLS Chlorobium phaeobacteroides DSM 266 Chlorobium limicola DSM 245 Chloroherpeton thalassium ATCC 35110 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H 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 7424 Desulfitobacterium hafniense Y51 Desulfitobacterium hafniense DCB-2 Desulfobacterium autotrophicum HRM2 Desulfococcus oleovorans Hxd3 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 Ferrimonas balearica DSM 9799 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 Halorhabdus utahensis DSM 12940 Halorhodospira halophila SL1 Haloterrigena turkmenica DSM 5511 Halothiobacillus neapolitanus c2 Heliobacterium modesticaldum Ice1 Herminiimonas arsenicoxydans Herpetosiphon aurantiacus DSM 785 Hyphomonas neptunium ATCC 15444 Idiomarina loihiensis L2TR Jannaschia sp. CCS1 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Lawsonia intracellularis PHE/MN1-00 Legionella pneumophila subsp. pneumophila str. Philadelphia 1 Legionella pneumophila str. Lens Legionella longbeachae NSW150 Leifsonia xyli subsp. xyli str. CTCB07 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Methylibium petroleiphilum PM1 Methylobacillus flagellatus KT Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Methylobacterium extorquens AM1 Methylobacterium extorquens DM4 Methylocella silvestris BL2 Methylovorus glucosetrophus SIP3-4 Microbacterium testaceum StLB037 Natrialba magadii ATCC 43099 Nautilia profundicola AmH Nitratiruptor sp. SB155-2 Nitrobacter hamburgensis X14 Nitrosococcus halophilus Nc4 Nostoc sp. PCC 7120 Novosphingobium aromaticivorans DSM 12444 Bordetella bronchiseptica RB50 Geobacter sulfurreducens PCA Haemophilus ducreyi 35000HP Xanthomonas axonopodis pv. citri str. 306 Helicobacter hepaticus ATCC 51449 Chromobacterium violaceum ATCC 12472 Sodalis glossinidius str. 'morsitans' Synechococcus sp. JA-2-3B'a(2-13) Rickettsia rickettsii str. 'Sheila Smith' Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Alteromonas macleodii str. 'Deep ecotype' Thermodesulfovibrio yellowstonii DSM 11347 Deferribacter desulfuricans SSM1 Denitrovibrio acetiphilus DSM 12809 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 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 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 CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopirellula baltica SH 1 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Rhodospirillum centenum SW Rickettsia prowazekii str. Madrid E Rickettsia conorii str. Malish 7 Rickettsia typhi str. Wilmington Rickettsia felis URRWXCal2 Rickettsia bellii RML369-C Rickettsia canadensis str. McKiel Rickettsia akari str. Hartford Rickettsia massiliae MTU5 Rickettsia rickettsii str. Iowa Rickettsia africae ESF-5 Rickettsia peacockii str. Rustic Roseobacter denitrificans OCh 114 Saccharophagus degradans 2-40 Salmonella enterica subsp. enterica serovar Paratyphi A str. 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 violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingomonas wittichii RW1 Sulfurihydrogenibium azorense Az-Fu1 Synechococcus sp. JA-3-3Ab Syntrophobacter fumaroxidans MPOB Syntrophus aciditrophicus SB Teredinibacter turnerae T7901 Thermoplasma volcanium GSS1 Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Waddlia chondrophila WSU 86-1044 Weeksella virosa DSM 16922 Wolbachia sp. wRi 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 Zunongwangia profunda SM-A87 Zymomonas mobilis subsp. pomaceae ATCC 29192 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Veillonella seminalis ACS-216-V-Col6b Veillonella sp. 6_1_27

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
MMDBr0018577	Hydrogen peroxide	Heme D	Catalase HPII	Oxidoreduction	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Other Exposures

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Heme

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for Heme D (MMDBc0030193)

MOL for #<Metabolite:0x00007f9accdcd2f0>

3D MOL for #<Metabolite:0x00007f9accdcd2f0>

3D SDF for #<Metabolite:0x00007f9accdcd2f0>

3D-SDF for #<Metabolite:0x00007f9accdcd2f0>

PDB for #<Metabolite:0x00007f9accdcd2f0>

3D PDB for #<Metabolite:0x00007f9accdcd2f0>

SMILES for #<Metabolite:0x00007f9accdcd2f0>

INCHI for #<Metabolite:0x00007f9accdcd2f0>

Structure for #<Metabolite:0x00007f9accdcd2f0>

3D Structure for #<Metabolite:0x00007f9accdcd2f0>