MiMeDB: Showing metabocard for Argininosuccinic acid (MMDBc0000327)

Microbial

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:28:48 UTC

Update Date

2024-04-30 19:31:47 UTC

Metabolite ID

MMDBc0000327

Metabolite Identification

Common Name

Argininosuccinic acid

Description

Arginosuccinic acid is a basic amino acid. Some cells synthesize it from citrulline, aspartic acid and use it as a precursor for arginine in the urea cycle or Citrulline-NO cycle. The enzyme that catalyzes the reaction is argininosuccinate synthetase. Argininosuccinic acid is a precursor to fumarate in the citric acid cycle via argininosuccinate lyase. Defects in the argininosuccinate lyase enzyme can lead to argininosuccinate lyase deficiency, which is an inborn error of metabolism. Argininosuccinate (ASA) lyase deficiency results in defective cleavage of ASA. This leads to an accumulation of ASA in cells and an excessive excretion of ASA in urine (argininosuccinic aciduria). In virtually all respects, this disorder shares the characteristics of other urea cycle defects. The most important characteristic of ASA lyase deficiency is its propensity to cause hyperammonemia in affected individuals. ASA in affected individuals is excreted by the kidney at a rate practically equivalent to the glomerular filtration rate (GFR). Whether ASA itself causes a degree of toxicity due to hepatocellular accumulation is unknown; such an effect could help explain hyperammonemia development in affected individuals. Regardless, the name of the disease is derived from the rapid clearance of ASA in urine, although elevated levels of ASA can be found in plasma. ASA lyase deficiency is associated with high mortality and morbidity rates. Symptoms of ASA lyase deficiency include anorexia, irritability rapid breathing, lethargy and vomiting. Extreme symptoms include coma and cerebral edema.

Structure

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

HMDB0000052
     RDKit          3D
Argininosuccinic acid
 38 37  0  0  0  0  0  0  0  0999 V2000
   -1.7537    1.1031    1.3975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635    0.1775    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404    0.4135    0.1178 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -0.2059    0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    0.2245   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -0.3917    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    0.1301   -0.2961 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8279    1.5801   -0.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -0.2449   -1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    0.6172   -2.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -1.5800   -2.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -0.9834    0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774   -0.9865   -0.1533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2994   -0.3156    0.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6851   -0.3741    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0243   -1.0415   -0.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6664    0.3593    1.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269   -0.2232   -1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.2718   -1.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    0.0151   -2.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    1.9719    1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    1.0446   -0.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.0766    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887   -1.3229    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294    1.3397    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -0.0287   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -0.0578    1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -1.4934    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7924   -0.2551    0.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312    1.9888   -0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    1.8742    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503   -2.0237   -2.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -1.9222    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6908   -2.0048   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2551   -0.7723    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    0.7674    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7943    1.3501    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8335    0.9221   -2.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  6 28  1  0
  7 29  1  1
  8 30  1  0
  8 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  6
 14 35  1  0
 14 36  1  0
 17 37  1  0
 20 38  1  0
M  END


  Mrv1652307082004522D          

 20 19  0  0  1  0            999 V2000
   -3.5735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4301    0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011    0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7132    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1422    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567    0.4124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5712    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567    1.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4301   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2855    0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5760   -0.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714   -0.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 11 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17  1  2  0  0  0  0
 18  1  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000327

> <DATABASE_NAME>
MIME

> <SMILES>
N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1

> <INCHI_KEY>
KDZOASGQNOPSCU-WDSKDSINSA-N

> <FORMULA>
C10H18N4O6

> <MOLECULAR_WEIGHT>
290.2731

> <EXACT_MASS>
290.122634328

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
27.598868203245992

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{N'-[(4S)-4-amino-4-carboxybutyl]carbamimidamido}butanedioic acid

> <ALOGPS_LOGP>
-3.25

> <JCHEM_LOGP>
-5.803854917241661

> <ALOGPS_LOGS>
-2.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.2332188556928654

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.1362975685976218

> <JCHEM_PKA_STRONGEST_BASIC>
12.386778734858158

> <JCHEM_POLAR_SURFACE_AREA>
185.82999999999998

> <JCHEM_REFRACTIVITY>
75.3116

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.56e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
argininosuccinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000052
     RDKit          3D
Argininosuccinic acid
 38 37  0  0  0  0  0  0  0  0999 V2000
   -1.7537    1.1031    1.3975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635    0.1775    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404    0.4135    0.1178 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -0.2059    0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    0.2245   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -0.3917    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    0.1301   -0.2961 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8279    1.5801   -0.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -0.2449   -1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    0.6172   -2.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -1.5800   -2.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -0.9834    0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774   -0.9865   -0.1533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2994   -0.3156    0.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6851   -0.3741    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0243   -1.0415   -0.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6664    0.3593    1.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269   -0.2232   -1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.2718   -1.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    0.0151   -2.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    1.9719    1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    1.0446   -0.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.0766    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887   -1.3229    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294    1.3397    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -0.0287   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -0.0578    1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -1.4934    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7924   -0.2551    0.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312    1.9888   -0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    1.8742    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503   -2.0237   -2.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -1.9222    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6908   -2.0048   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2551   -0.7723    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    0.7674    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7943    1.3501    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8335    0.9221   -2.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  6 28  1  0
  7 29  1  1
  8 30  1  0
  8 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  6
 14 35  1  0
 14 36  1  0
 17 37  1  0
 20 38  1  0
M  END

HEADER    PROTEIN                                 08-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-JUL-20         0                                  
HETATM    1  C   UNK     0      -6.671   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.337   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.003   0.000   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -2.670   0.770   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -1.336   0.000   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -0.002   0.770   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       1.331   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.003  -1.540   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -1.336  -1.540   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       2.665   0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.999   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.333   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.666   0.000   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       5.333   2.310   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -2.670  -2.310   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -5.337  -2.310   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -8.000   0.778   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -6.675  -1.538   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       6.667  -1.540   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.000   0.770   0.000  0.00  0.00           O+0
CONECT    1    2   17   18                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7                                                       
CONECT    7    6   10                                                       
CONECT    8    3   15   16                                                  
CONECT    9    5                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12                                                       
CONECT   12   13   14   11                                                  
CONECT   13   12   19   20                                                  
CONECT   14   12                                                            
CONECT   15    8                                                            
CONECT   16    8                                                            
CONECT   17    1                                                            
CONECT   18    1                                                            
CONECT   19   13                                                            
CONECT   20   13                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

COMPND    HMDB0000052
HETATM    1  N1  UNL     1      -1.754   1.103   1.398  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.263   0.177   0.630  1.00  0.00           C  
HETATM    3  N2  UNL     1       0.040   0.413   0.118  1.00  0.00           N  
HETATM    4  C2  UNL     1       1.190  -0.206   0.720  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.437   0.225  -0.028  1.00  0.00           C  
HETATM    6  C4  UNL     1       3.687  -0.392   0.556  1.00  0.00           C  
HETATM    7  C5  UNL     1       4.849   0.130  -0.296  1.00  0.00           C  
HETATM    8  N3  UNL     1       4.828   1.580  -0.171  1.00  0.00           N  
HETATM    9  C6  UNL     1       4.667  -0.245  -1.704  1.00  0.00           C  
HETATM   10  O1  UNL     1       4.522   0.617  -2.611  1.00  0.00           O  
HETATM   11  O2  UNL     1       4.647  -1.580  -2.092  1.00  0.00           O  
HETATM   12  N4  UNL     1      -1.998  -0.983   0.338  1.00  0.00           N  
HETATM   13  C7  UNL     1      -3.377  -0.986  -0.153  1.00  0.00           C  
HETATM   14  C8  UNL     1      -4.299  -0.316   0.796  1.00  0.00           C  
HETATM   15  C9  UNL     1      -5.685  -0.374   0.318  1.00  0.00           C  
HETATM   16  O3  UNL     1      -6.024  -1.041  -0.677  1.00  0.00           O  
HETATM   17  O4  UNL     1      -6.666   0.359   1.022  1.00  0.00           O  
HETATM   18  C10 UNL     1      -3.327  -0.223  -1.429  1.00  0.00           C  
HETATM   19  O5  UNL     1      -2.220   0.272  -1.849  1.00  0.00           O  
HETATM   20  O6  UNL     1      -4.405   0.015  -2.244  1.00  0.00           O  
HETATM   21  H1  UNL     1      -1.260   1.972   1.645  1.00  0.00           H  
HETATM   22  H2  UNL     1       0.149   1.045  -0.703  1.00  0.00           H  
HETATM   23  H3  UNL     1       1.312   0.077   1.775  1.00  0.00           H  
HETATM   24  H4  UNL     1       1.089  -1.323   0.609  1.00  0.00           H  
HETATM   25  H5  UNL     1       2.529   1.340   0.061  1.00  0.00           H  
HETATM   26  H6  UNL     1       2.359  -0.029  -1.087  1.00  0.00           H  
HETATM   27  H7  UNL     1       3.815  -0.058   1.596  1.00  0.00           H  
HETATM   28  H8  UNL     1       3.634  -1.493   0.479  1.00  0.00           H  
HETATM   29  H9  UNL     1       5.792  -0.255   0.144  1.00  0.00           H  
HETATM   30  H10 UNL     1       5.631   1.989  -0.705  1.00  0.00           H  
HETATM   31  H11 UNL     1       4.856   1.874   0.822  1.00  0.00           H  
HETATM   32  H12 UNL     1       5.450  -2.024  -2.506  1.00  0.00           H  
HETATM   33  H13 UNL     1      -1.571  -1.922   0.467  1.00  0.00           H  
HETATM   34  H14 UNL     1      -3.691  -2.005  -0.367  1.00  0.00           H  
HETATM   35  H15 UNL     1      -4.255  -0.772   1.826  1.00  0.00           H  
HETATM   36  H16 UNL     1      -4.058   0.767   0.920  1.00  0.00           H  
HETATM   37  H17 UNL     1      -6.794   1.350   0.858  1.00  0.00           H  
HETATM   38  H18 UNL     1      -4.834   0.922  -2.388  1.00  0.00           H  
CONECT    1    2    2   21
CONECT    2    3   12
CONECT    3    4   22
CONECT    4    5   23   24
CONECT    5    6   25   26
CONECT    6    7   27   28
CONECT    7    8    9   29
CONECT    8   30   31
CONECT    9   10   10   11
CONECT   11   32
CONECT   12   13   33
CONECT   13   14   18   34
CONECT   14   15   35   36
CONECT   15   16   16   17
CONECT   17   37
CONECT   18   19   19   20
CONECT   20   38
END

HMDB0000052
     RDKit          3D
Argininosuccinic acid
 38 37  0  0  0  0  0  0  0  0999 V2000
   -1.7537    1.1031    1.3975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635    0.1775    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404    0.4135    0.1178 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -0.2059    0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    0.2245   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -0.3917    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    0.1301   -0.2961 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8279    1.5801   -0.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -0.2449   -1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    0.6172   -2.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -1.5800   -2.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -0.9834    0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774   -0.9865   -0.1533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2994   -0.3156    0.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6851   -0.3741    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0243   -1.0415   -0.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6664    0.3593    1.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269   -0.2232   -1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.2718   -1.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    0.0151   -2.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    1.9719    1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    1.0446   -0.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.0766    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887   -1.3229    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294    1.3397    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -0.0287   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -0.0578    1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -1.4934    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7924   -0.2551    0.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312    1.9888   -0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    1.8742    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503   -2.0237   -2.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -1.9222    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6908   -2.0048   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2551   -0.7723    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    0.7674    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7943    1.3501    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8335    0.9221   -2.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  6 28  1  0
  7 29  1  1
  8 30  1  0
  8 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  6
 14 35  1  0
 14 36  1  0
 17 37  1  0
 20 38  1  0
M  END

Synonyms

Value	Source
2-(Nomega-L-arginino)succinate	Kegg
L-Argininosuccinate	Kegg
L-Argininosuccinic acid	Kegg
L-Arginosuccinic acid	Kegg
2-(Nomega-L-arginino)succinic acid	Generator
L-Arginosuccinate	Generator
Argininosuccinate	Generator
2-(N(Omega)-L-arginine)succinate	HMDB
2-(N(Omega)-L-arginine)succinic acid	HMDB
2-(N(Omega)-L-arginino)succinate	HMDB
2-(N(Omega)-L-arginino)succinic acid	HMDB
2-(Nw-l-arginino)butanedioate	HMDB
2-(Nw-l-arginino)butanedioic acid	HMDB
Arginosuccinate	HMDB
Arginosuccinic acid	HMDB
ASA	HMDB
N(Omega)-(L-arginino)succinate	HMDB
N(Omega)-(L-arginino)succinic acid	HMDB
N-(((4-Amino-4-carboxybutyl)amino)iminomethyl)-L-aspartate	HMDB
N-(((4-Amino-4-carboxybutyl)amino)iminomethyl)-L-aspartic acid	HMDB
N-(L-Arginino) succinate	HMDB
N-(L-Arginino) succinic acid	HMDB
N-(L-Arginino)succinate	HMDB
N-(L-Arginino)succinic acid	HMDB
N-[(4-Amino-4-carboxybutyl)amidino]-L-aspartate	HMDB
N-[(4-Amino-4-carboxybutyl)amidino]-L-aspartic acid	HMDB
N-[[(4-Amino-4-carboxybutyl)amino]iminomethyl]-L-aspartate	HMDB
N-[[(4-Amino-4-carboxybutyl)amino]iminomethyl]-L-aspartic acid	HMDB
Acid, argininosuccinic	HMDB
N-(4-Amino-4-carboxybutyl)amidino-L-aspartic acid	HMDB

Molecular Formula

C₁₀H₁₈N₄O₆

Average Mass

290.2731

Monoisotopic Mass

290.122634328

IUPAC Name

(2S)-2-{N'-[(4S)-4-amino-4-carboxybutyl]carbamimidamido}butanedioic acid

Traditional Name

argininosuccinic acid

CAS Registry Number

Not Available

SMILES

N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1

InChI Key

KDZOASGQNOPSCU-WDSKDSINSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Aspartic acid and derivatives

Alternative Parents

Substituents

Aspartic acid or derivatives
Alpha-amino acid
L-alpha-amino acid
Tricarboxylic acid or derivatives
Guanidine
Amino acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Carboxylic acid
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Organic nitrogen compound
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Other amino acids (C03406 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.46 g/L	ALOGPS
logP	-3.2	ALOGPS
logP	-5.8	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	2.14	ChemAxon
pKa (Strongest Basic)	12.39	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	185.83 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	75.31 m³·mol⁻¹	ChemAxon
Polarizability	27.6 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0007-0921100000-638b5887a29712423afd	2014-06-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0007-8790000000-bc8aa39ecc71a1589298	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-0006-4101900000-c606d87ec7ffb8ef2cfa	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 (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_1_7) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 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
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-000i-0090000000-27e7b2225bca7ed0bfef	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-00di-0390000000-b66871354ad66743ff5f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-001i-1910000000-777b6f2263b573f38bca	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-001i-3900000000-26d6466903550c40fde6	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-001r-8900000000-4e5455a5af85574ac9df	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive	splash10-0006-0090000000-79b7ca9043632dc877e1	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive	splash10-0006-0590000000-8fb4f4625f241d387e92	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive	splash10-06di-3910000000-55530a4477a3fde8c1c1	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive	splash10-00di-9200000000-413c3029964c0386047a	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive	splash10-00di-9000000000-6ffc3b2b5da5f69de80b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-060r-0950000000-129ee81e1370707d975d	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-0a4i-0910000000-62431d9967ced6c96b28	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-03di-1980000000-27b5f442d411115ebaab	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-0a4i-1900000000-b57bcbf0c07e921767af	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-0006-3900000000-1fce5114c61349fc9065	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-014i-0900000000-25c094a4a18cfe463b6b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-00di-9200000000-e518e242f12e95bbddf9	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-00di-9000000000-932dfd009a8e5c41ec38	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-000i-0090000000-27e7b2225bca7ed0bfef	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00dj-0190000000-8ba86e35661de03d1049	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0092-2890000000-966d24fb4f820888318e	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-4900000000-5200a801423dd1a4b7a6	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00ds-0290000000-a3397e8c303fc7e6bd83	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00e9-0940000000-a964172e915808d27899	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0ac3-8900000000-d4ac87f770202453bb7a	2017-09-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	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
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	657.6
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	522.3
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	57.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	245.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	358.1
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	296.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	382.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	1103.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (retained)	2025-10-23	877.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	168.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	662.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	181.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	18.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	585.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	1041.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	87.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	366.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	691.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	609.6

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Argininosuccinic acid_TMS_1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O	standard non polar	2025-10-23	1393.43
Gas Chromatography	Argininosuccinic acid_TMS_2	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@H](N)C(=O)O	standard non polar	2025-10-23	1915.57
Gas Chromatography	Argininosuccinic acid_TMS_3	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	1693.42
Gas Chromatography	Argininosuccinic acid_TMS_4	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O	standard non polar	2025-10-23	1815.13
Gas Chromatography	Argininosuccinic acid_TMS_5	C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C(=N)N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	1967.13
Gas Chromatography	Argininosuccinic acid_TMS_6	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	2144.7
Gas Chromatography	Argininosuccinic acid_TMS_7	C[Si](C)(C)N(C(=N)NCCC[C@H](N)C(=O)O)[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	1717.61
Gas Chromatography	Argininosuccinic acid_TMS_8	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1801.47
Gas Chromatography	Argininosuccinic acid_TMS_9	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2231.69
Gas Chromatography	Argininosuccinic acid_TMS_10	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	1975.59
Gas Chromatography	Argininosuccinic acid_TMS_11	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2379.82
Gas Chromatography	Argininosuccinic acid_TMS_12	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2490.61
Gas Chromatography	Argininosuccinic acid_TMS_13	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2072.1
Gas Chromatography	Argininosuccinic acid_TMS_14	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	3234.81
Gas Chromatography	Argininosuccinic acid_TMS_15	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2354.28
Gas Chromatography	Argininosuccinic acid_TMS_16	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1331.15
Gas Chromatography	Argininosuccinic acid_TMS_17	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1359.93
Gas Chromatography	Argininosuccinic acid_TMS_18	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2280.29
Gas Chromatography	Argininosuccinic acid_TMS_19	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1959.26
Gas Chromatography	Argininosuccinic acid_TMS_20	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1578.36
Gas Chromatography	Argininosuccinic acid_TMS_21	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	2370.28
Gas Chromatography	Argininosuccinic acid_TMS_22	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2555.3
Gas Chromatography	Argininosuccinic acid_TMS_23	C[Si](C)(C)N([C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1363.03
Gas Chromatography	Argininosuccinic acid_TMS_24	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2487.37
Gas Chromatography	Argininosuccinic acid_TMS_25	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	2007.24
Gas Chromatography	Argininosuccinic acid_TMS_26	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2256.84
Gas Chromatography	Argininosuccinic acid_TMS_27	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1597.1
Gas Chromatography	Argininosuccinic acid_TMS_28	C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1583.13
Gas Chromatography	Argininosuccinic acid_TMS_29	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1737.0
Gas Chromatography	Argininosuccinic acid_TMS_30	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1177.83
Gas Chromatography	Argininosuccinic acid_TMS_31	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1902.7
Gas Chromatography	Argininosuccinic acid_TMS_32	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1407.56
Gas Chromatography	Argininosuccinic acid_TMS_33	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1739.95
Gas Chromatography	Argininosuccinic acid_TMS_34	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2363.19
Gas Chromatography	Argininosuccinic acid_TMS_35	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2226.87
Gas Chromatography	Argininosuccinic acid_TMS_36	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2138.51
Gas Chromatography	Argininosuccinic acid_TMS_37	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2187.74
Gas Chromatography	Argininosuccinic acid_TMS_38	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1645.1
Gas Chromatography	Argininosuccinic acid_TMS_39	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2176.13
Gas Chromatography	Argininosuccinic acid_TMS_40	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2796.03
Gas Chromatography	Argininosuccinic acid_TMS_41	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1416.9
Gas Chromatography	Argininosuccinic acid_TMS_42	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2152.55
Gas Chromatography	Argininosuccinic acid_TMS_43	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1652.73
Gas Chromatography	Argininosuccinic acid_TMS_44	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2014.9
Gas Chromatography	Argininosuccinic acid_TMS_45	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2914.93
Gas Chromatography	Argininosuccinic acid_TMS_46	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2137.08
Gas Chromatography	Argininosuccinic acid_TMS_47	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1350.65
Gas Chromatography	Argininosuccinic acid_TMS_48	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1935.14
Gas Chromatography	Argininosuccinic acid_TMS_49	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1809.73
Gas Chromatography	Argininosuccinic acid_TMS_50	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1898.98
Gas Chromatography	Argininosuccinic acid_TMS_51	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1059.06
Gas Chromatography	Argininosuccinic acid_TMS_52	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2046.42
Gas Chromatography	Argininosuccinic acid_TMS_53	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2312.12
Gas Chromatography	Argininosuccinic acid_TMS_54	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2353.25
Gas Chromatography	Argininosuccinic acid_TMS_55	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1902.73
Gas Chromatography	Argininosuccinic acid_TMS_56	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2150.48
Gas Chromatography	Argininosuccinic acid_TMS_57	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2181.92
Gas Chromatography	Argininosuccinic acid_TMS_58	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1937.48
Gas Chromatography	Argininosuccinic acid_TMS_59	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	2661.22
Gas Chromatography	Argininosuccinic acid_TMS_60	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2079.09
Gas Chromatography	Argininosuccinic acid_TMS_61	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2053.78
Gas Chromatography	Argininosuccinic acid_TMS_62	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1010.93
Gas Chromatography	Argininosuccinic acid_TMS_63	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2558.93
Gas Chromatography	Argininosuccinic acid_TMS_64	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	1543.44
Gas Chromatography	Argininosuccinic acid_TMS_65	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	2573.76
Gas Chromatography	Argininosuccinic acid_TMS_66	C[Si](C)(C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	1453.02
Gas Chromatography	Argininosuccinic acid_TMS_67	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1296.96
Gas Chromatography	Argininosuccinic acid_TMS_68	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1632.85
Gas Chromatography	Argininosuccinic acid_TMS_69	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2065.34
Gas Chromatography	Argininosuccinic acid_TMS_70	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1910.36
Gas Chromatography	Argininosuccinic acid_TMS_71	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2734.0
Gas Chromatography	Argininosuccinic acid_TMS_72	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2035.36
Gas Chromatography	Argininosuccinic acid_TMS_73	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2381.89
Gas Chromatography	Argininosuccinic acid_TMS_74	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2568.11
Gas Chromatography	Argininosuccinic acid_TMS_75	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2267.53
Gas Chromatography	Argininosuccinic acid_TMS_76	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1659.09
Gas Chromatography	Argininosuccinic acid_TMS_77	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1392.62
Gas Chromatography	Argininosuccinic acid_TMS_78	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2023.87
Gas Chromatography	Argininosuccinic acid_TMS_79	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1520.41
Gas Chromatography	Argininosuccinic acid_TMS_80	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2325.7
Gas Chromatography	Argininosuccinic acid_TMS_81	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2728.82
Gas Chromatography	Argininosuccinic acid_TMS_82	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1840.52
Gas Chromatography	Argininosuccinic acid_TMS_83	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1764.07
Gas Chromatography	Argininosuccinic acid_TMS_84	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1619.2
Gas Chromatography	Argininosuccinic acid_TMS_85	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2606.92
Gas Chromatography	Argininosuccinic acid_TMS_86	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2336.3
Gas Chromatography	Argininosuccinic acid_TMS_87	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1925.34
Gas Chromatography	Argininosuccinic acid_TMS_88	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2077.65
Gas Chromatography	Argininosuccinic acid_TMS_89	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1335.89
Gas Chromatography	Argininosuccinic acid_TMS_90	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1547.93
Gas Chromatography	Argininosuccinic acid_TMS_91	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1876.96
Gas Chromatography	Argininosuccinic acid_TMS_92	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2266.2
Gas Chromatography	Argininosuccinic acid_TMS_93	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2483.59
Gas Chromatography	Argininosuccinic acid_TMS_94	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1998.01
Gas Chromatography	Argininosuccinic acid_TMS_95	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2229.24
Gas Chromatography	Argininosuccinic acid_TMS_96	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2214.0
Gas Chromatography	Argininosuccinic acid_TMS_97	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1970.39
Gas Chromatography	Argininosuccinic acid_TMS_98	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2573.55
Gas Chromatography	Argininosuccinic acid_TMS_99	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1404.87
Gas Chromatography	Argininosuccinic acid_TMS_100	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1751.0
Gas Chromatography	Argininosuccinic acid_TMS_101	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2095.18
Gas Chromatography	Argininosuccinic acid_TMS_102	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1787.94
Gas Chromatography	Argininosuccinic acid_TMS_103	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	842.555
Gas Chromatography	Argininosuccinic acid_TMS_104	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2264.44
Gas Chromatography	Argininosuccinic acid_TMS_105	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1554.67
Gas Chromatography	Argininosuccinic acid_TMS_106	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1561.16
Gas Chromatography	Argininosuccinic acid_TMS_107	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2033.82
Gas Chromatography	Argininosuccinic acid_TMS_108	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2520.47
Gas Chromatography	Argininosuccinic acid_TMS_109	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1877.77
Gas Chromatography	Argininosuccinic acid_TMS_110	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1757.2
Gas Chromatography	Argininosuccinic acid_TMS_111	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	2112.72
Gas Chromatography	Argininosuccinic acid_TMS_112	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1622.7
Gas Chromatography	Argininosuccinic acid_TMS_113	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2471.29
Gas Chromatography	Argininosuccinic acid_TMS_114	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2884.82
Gas Chromatography	Argininosuccinic acid_TMS_115	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1752.68
Gas Chromatography	Argininosuccinic acid_TMS_116	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2194.54
Gas Chromatography	Argininosuccinic acid_TMS_117	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1893.66
Gas Chromatography	Argininosuccinic acid_TMS_118	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2482.4
Gas Chromatography	Argininosuccinic acid_TMS_119	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1958.98
Gas Chromatography	Argininosuccinic acid_TMS_120	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2306.9
Gas Chromatography	Argininosuccinic acid_TMS_121	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2516.58
Gas Chromatography	Argininosuccinic acid_TMS_122	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1707.37
Gas Chromatography	Argininosuccinic acid_TMS_123	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1921.44
Gas Chromatography	Argininosuccinic acid_TMS_124	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2181.46
Gas Chromatography	Argininosuccinic acid_TMS_125	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2539.02
Gas Chromatography	Argininosuccinic acid_TMS_126	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2273.77
Gas Chromatography	Argininosuccinic acid_TMS_127	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1895.65
Gas Chromatography	Argininosuccinic acid_TMS_128	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1094.11
Gas Chromatography	Argininosuccinic acid_TMS_129	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1606.94
Gas Chromatography	Argininosuccinic acid_TMS_130	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1813.87
Gas Chromatography	Argininosuccinic acid_TMS_131	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1286.11
Gas Chromatography	Argininosuccinic acid_TMS_132	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1061.86
Gas Chromatography	Argininosuccinic acid_TMS_133	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2450.04
Gas Chromatography	Argininosuccinic acid_TMS_134	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2144.17
Gas Chromatography	Argininosuccinic acid_TMS_135	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1885.21
Gas Chromatography	Argininosuccinic acid_TMS_136	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2090.55
Gas Chromatography	Argininosuccinic acid_TMS_137	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2449.32
Gas Chromatography	Argininosuccinic acid_TMS_138	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1145.44
Gas Chromatography	Argininosuccinic acid_TMS_139	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1352.67
Gas Chromatography	Argininosuccinic acid_TMS_140	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1711.92
Gas Chromatography	Argininosuccinic acid_TMS_141	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2145.09
Gas Chromatography	Argininosuccinic acid_TMS_142	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1440.82
Gas Chromatography	Argininosuccinic acid_TMS_143	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	3083.2
Gas Chromatography	Argininosuccinic acid_TMS_144	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	3513.55
Gas Chromatography	Argininosuccinic acid_TMS_145	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1980.91
Gas Chromatography	Argininosuccinic acid_TMS_146	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1638.92
Gas Chromatography	Argininosuccinic acid_TMS_147	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1767.99
Gas Chromatography	Argininosuccinic acid_TMS_148	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2105.54
Gas Chromatography	Argininosuccinic acid_TMS_149	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2134.51
Gas Chromatography	Argininosuccinic acid_TMS_150	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2347.91
Gas Chromatography	Argininosuccinic acid_TMS_151	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1409.11
Gas Chromatography	Argininosuccinic acid_TMS_152	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2337.21
Gas Chromatography	Argininosuccinic acid_TMS_153	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1883.8
Gas Chromatography	Argininosuccinic acid_TMS_154	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1593.44
Gas Chromatography	Argininosuccinic acid_TMS_155	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2262.69
Gas Chromatography	Argininosuccinic acid_TMS_156	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1178.69
Gas Chromatography	Argininosuccinic acid_TMS_157	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	3541.58
Gas Chromatography	Argininosuccinic acid_TMS_158	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1608.03
Gas Chromatography	Argininosuccinic acid_TMS_159	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2442.28
Gas Chromatography	Argininosuccinic acid_TMS_160	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2456.87
Gas Chromatography	Argininosuccinic acid_TMS_161	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1193.42
Gas Chromatography	Argininosuccinic acid_TMS_162	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1258.52
Gas Chromatography	Argininosuccinic acid_TMS_163	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1371.79
Gas Chromatography	Argininosuccinic acid_TMS_164	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2207.03
Gas Chromatography	Argininosuccinic acid_TMS_165	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2065.98
Gas Chromatography	Argininosuccinic acid_TMS_166	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1865.88
Gas Chromatography	Argininosuccinic acid_TMS_167	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1790.4
Gas Chromatography	Argininosuccinic acid_TMS_168	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2432.53
Gas Chromatography	Argininosuccinic acid_TMS_169	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	3048.92
Gas Chromatography	Argininosuccinic acid_TMS_170	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2654.44
Gas Chromatography	Argininosuccinic acid_TMS_171	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1638.23
Gas Chromatography	Argininosuccinic acid_TMS_172	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2105.09
Gas Chromatography	Argininosuccinic acid_TMS_173	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	774.474
Gas Chromatography	Argininosuccinic acid_TMS_174	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	280.099
Gas Chromatography	Argininosuccinic acid_TMS_175	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2371.39
Gas Chromatography	Argininosuccinic acid_TMS_176	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1277.72
Gas Chromatography	Argininosuccinic acid_TMS_177	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1456.39
Gas Chromatography	Argininosuccinic acid_TMS_178	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2275.25
Gas Chromatography	Argininosuccinic acid_TMS_179	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2651.5
Gas Chromatography	Argininosuccinic acid_TMS_180	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2479.99
Gas Chromatography	Argininosuccinic acid_TMS_181	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1757.26
Gas Chromatography	Argininosuccinic acid_TMS_182	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1691.29
Gas Chromatography	Argininosuccinic acid_TMS_183	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	3117.51
Gas Chromatography	Argininosuccinic acid_TMS_184	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2569.03
Gas Chromatography	Argininosuccinic acid_TMS_185	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1258.94
Gas Chromatography	Argininosuccinic acid_TMS_186	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2281.07
Gas Chromatography	Argininosuccinic acid_TMS_187	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2720.43
Gas Chromatography	Argininosuccinic acid_TMS_188	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2378.67
Gas Chromatography	Argininosuccinic acid_TMS_189	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1079.01
Gas Chromatography	Argininosuccinic acid_TMS_190	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1555.86
Gas Chromatography	Argininosuccinic acid_TMS_191	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1869.23
Gas Chromatography	Argininosuccinic acid_TMS_1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O	standard polar	2025-10-23	1684.04
Gas Chromatography	Argininosuccinic acid_TMS_2	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@H](N)C(=O)O	standard polar	2025-10-23	1559.28
Gas Chromatography	Argininosuccinic acid_TMS_3	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	1764.99
Gas Chromatography	Argininosuccinic acid_TMS_4	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O	standard polar	2025-10-23	2013.89
Gas Chromatography	Argininosuccinic acid_TMS_5	C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C(=N)N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	2304.99
Gas Chromatography	Argininosuccinic acid_TMS_6	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	1958.92
Gas Chromatography	Argininosuccinic acid_TMS_7	C[Si](C)(C)N(C(=N)NCCC[C@H](N)C(=O)O)[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	2466.57
Gas Chromatography	Argininosuccinic acid_TMS_8	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1719.09
Gas Chromatography	Argininosuccinic acid_TMS_9	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1581.52
Gas Chromatography	Argininosuccinic acid_TMS_10	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	1886.05
Gas Chromatography	Argininosuccinic acid_TMS_11	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2262.06
Gas Chromatography	Argininosuccinic acid_TMS_12	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1916.8
Gas Chromatography	Argininosuccinic acid_TMS_13	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	3015.72
Gas Chromatography	Argininosuccinic acid_TMS_14	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3397.55
Gas Chromatography	Argininosuccinic acid_TMS_15	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2035.47
Gas Chromatography	Argininosuccinic acid_TMS_16	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	3157.63
Gas Chromatography	Argininosuccinic acid_TMS_17	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1857.97
Gas Chromatography	Argininosuccinic acid_TMS_18	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2209.31
Gas Chromatography	Argininosuccinic acid_TMS_19	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2780.78
Gas Chromatography	Argininosuccinic acid_TMS_20	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2208.52
Gas Chromatography	Argininosuccinic acid_TMS_21	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	1617.84
Gas Chromatography	Argininosuccinic acid_TMS_22	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2273.05
Gas Chromatography	Argininosuccinic acid_TMS_23	C[Si](C)(C)N([C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1687.47
Gas Chromatography	Argininosuccinic acid_TMS_24	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2445.27
Gas Chromatography	Argininosuccinic acid_TMS_25	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	2546.99
Gas Chromatography	Argininosuccinic acid_TMS_26	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1573.37
Gas Chromatography	Argininosuccinic acid_TMS_27	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2133.33
Gas Chromatography	Argininosuccinic acid_TMS_28	C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1772.93
Gas Chromatography	Argininosuccinic acid_TMS_29	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1827.14
Gas Chromatography	Argininosuccinic acid_TMS_30	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2395.61
Gas Chromatography	Argininosuccinic acid_TMS_31	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2822.59
Gas Chromatography	Argininosuccinic acid_TMS_32	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2667.16
Gas Chromatography	Argininosuccinic acid_TMS_33	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1945.47
Gas Chromatography	Argininosuccinic acid_TMS_34	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2412.39
Gas Chromatography	Argininosuccinic acid_TMS_35	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2216.6
Gas Chromatography	Argininosuccinic acid_TMS_36	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1342.05
Gas Chromatography	Argininosuccinic acid_TMS_37	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2412.74
Gas Chromatography	Argininosuccinic acid_TMS_38	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2288.46
Gas Chromatography	Argininosuccinic acid_TMS_39	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2372.86
Gas Chromatography	Argininosuccinic acid_TMS_40	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2127.62
Gas Chromatography	Argininosuccinic acid_TMS_41	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1691.33
Gas Chromatography	Argininosuccinic acid_TMS_42	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1727.81
Gas Chromatography	Argininosuccinic acid_TMS_43	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2120.89
Gas Chromatography	Argininosuccinic acid_TMS_44	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1475.85
Gas Chromatography	Argininosuccinic acid_TMS_45	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1635.9
Gas Chromatography	Argininosuccinic acid_TMS_46	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2239.56
Gas Chromatography	Argininosuccinic acid_TMS_47	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1657.38
Gas Chromatography	Argininosuccinic acid_TMS_48	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	242.315
Gas Chromatography	Argininosuccinic acid_TMS_49	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2300.22
Gas Chromatography	Argininosuccinic acid_TMS_50	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2036.42
Gas Chromatography	Argininosuccinic acid_TMS_51	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1714.53
Gas Chromatography	Argininosuccinic acid_TMS_52	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1315.28
Gas Chromatography	Argininosuccinic acid_TMS_53	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2046.33
Gas Chromatography	Argininosuccinic acid_TMS_54	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3177.27
Gas Chromatography	Argininosuccinic acid_TMS_55	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2572.57
Gas Chromatography	Argininosuccinic acid_TMS_56	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1547.6
Gas Chromatography	Argininosuccinic acid_TMS_57	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2192.12
Gas Chromatography	Argininosuccinic acid_TMS_58	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1595.37
Gas Chromatography	Argininosuccinic acid_TMS_59	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	1819.14
Gas Chromatography	Argininosuccinic acid_TMS_60	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2337.46
Gas Chromatography	Argininosuccinic acid_TMS_61	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1715.38
Gas Chromatography	Argininosuccinic acid_TMS_62	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2361.65
Gas Chromatography	Argininosuccinic acid_TMS_63	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2422.13
Gas Chromatography	Argininosuccinic acid_TMS_64	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	1720.33
Gas Chromatography	Argininosuccinic acid_TMS_65	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	1471.9
Gas Chromatography	Argininosuccinic acid_TMS_66	C[Si](C)(C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	1835.03
Gas Chromatography	Argininosuccinic acid_TMS_67	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1955.25
Gas Chromatography	Argininosuccinic acid_TMS_68	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2991.12
Gas Chromatography	Argininosuccinic acid_TMS_69	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	856.34
Gas Chromatography	Argininosuccinic acid_TMS_70	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1696.67
Gas Chromatography	Argininosuccinic acid_TMS_71	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1596.86
Gas Chromatography	Argininosuccinic acid_TMS_72	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2238.42
Gas Chromatography	Argininosuccinic acid_TMS_73	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2078.97
Gas Chromatography	Argininosuccinic acid_TMS_74	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2150.91
Gas Chromatography	Argininosuccinic acid_TMS_75	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2806.57
Gas Chromatography	Argininosuccinic acid_TMS_76	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	924.792
Gas Chromatography	Argininosuccinic acid_TMS_77	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1764.85
Gas Chromatography	Argininosuccinic acid_TMS_78	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2094.6
Gas Chromatography	Argininosuccinic acid_TMS_79	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1754.74
Gas Chromatography	Argininosuccinic acid_TMS_80	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2378.05
Gas Chromatography	Argininosuccinic acid_TMS_81	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2460.2
Gas Chromatography	Argininosuccinic acid_TMS_82	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2762.15
Gas Chromatography	Argininosuccinic acid_TMS_83	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2886.37
Gas Chromatography	Argininosuccinic acid_TMS_84	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1973.59
Gas Chromatography	Argininosuccinic acid_TMS_85	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2156.67
Gas Chromatography	Argininosuccinic acid_TMS_86	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2989.84
Gas Chromatography	Argininosuccinic acid_TMS_87	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1441.53
Gas Chromatography	Argininosuccinic acid_TMS_88	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1467.22
Gas Chromatography	Argininosuccinic acid_TMS_89	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2142.9
Gas Chromatography	Argininosuccinic acid_TMS_90	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2506.0
Gas Chromatography	Argininosuccinic acid_TMS_91	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	3041.35
Gas Chromatography	Argininosuccinic acid_TMS_92	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1162.02
Gas Chromatography	Argininosuccinic acid_TMS_93	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2297.03
Gas Chromatography	Argininosuccinic acid_TMS_94	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2688.25
Gas Chromatography	Argininosuccinic acid_TMS_95	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1083.79
Gas Chromatography	Argininosuccinic acid_TMS_96	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2416.63
Gas Chromatography	Argininosuccinic acid_TMS_97	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2423.35
Gas Chromatography	Argininosuccinic acid_TMS_98	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2158.98
Gas Chromatography	Argininosuccinic acid_TMS_99	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3232.25
Gas Chromatography	Argininosuccinic acid_TMS_100	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	986.048
Gas Chromatography	Argininosuccinic acid_TMS_101	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2517.35
Gas Chromatography	Argininosuccinic acid_TMS_102	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2759.76
Gas Chromatography	Argininosuccinic acid_TMS_103	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1543.15
Gas Chromatography	Argininosuccinic acid_TMS_104	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2390.98
Gas Chromatography	Argininosuccinic acid_TMS_105	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2564.47
Gas Chromatography	Argininosuccinic acid_TMS_106	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	3178.26
Gas Chromatography	Argininosuccinic acid_TMS_107	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1723.29
Gas Chromatography	Argininosuccinic acid_TMS_108	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1831.23
Gas Chromatography	Argininosuccinic acid_TMS_109	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3017.07
Gas Chromatography	Argininosuccinic acid_TMS_110	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1804.96
Gas Chromatography	Argininosuccinic acid_TMS_111	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	2683.75
Gas Chromatography	Argininosuccinic acid_TMS_112	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1108.64
Gas Chromatography	Argininosuccinic acid_TMS_113	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1272.32
Gas Chromatography	Argininosuccinic acid_TMS_114	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1937.93
Gas Chromatography	Argininosuccinic acid_TMS_115	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1206.99
Gas Chromatography	Argininosuccinic acid_TMS_116	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	3021.77
Gas Chromatography	Argininosuccinic acid_TMS_117	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2510.56
Gas Chromatography	Argininosuccinic acid_TMS_118	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2676.36
Gas Chromatography	Argininosuccinic acid_TMS_119	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1807.71
Gas Chromatography	Argininosuccinic acid_TMS_120	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1853.45
Gas Chromatography	Argininosuccinic acid_TMS_121	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2860.17
Gas Chromatography	Argininosuccinic acid_TMS_122	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1253.29
Gas Chromatography	Argininosuccinic acid_TMS_123	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2042.76
Gas Chromatography	Argininosuccinic acid_TMS_124	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1628.25
Gas Chromatography	Argininosuccinic acid_TMS_125	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2645.72
Gas Chromatography	Argininosuccinic acid_TMS_126	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1993.63
Gas Chromatography	Argininosuccinic acid_TMS_127	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1737.85
Gas Chromatography	Argininosuccinic acid_TMS_128	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2090.19
Gas Chromatography	Argininosuccinic acid_TMS_129	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2508.46
Gas Chromatography	Argininosuccinic acid_TMS_130	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	3102.0
Gas Chromatography	Argininosuccinic acid_TMS_131	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1903.38
Gas Chromatography	Argininosuccinic acid_TMS_132	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1105.52
Gas Chromatography	Argininosuccinic acid_TMS_133	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2078.87
Gas Chromatography	Argininosuccinic acid_TMS_134	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2207.6
Gas Chromatography	Argininosuccinic acid_TMS_135	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2291.87
Gas Chromatography	Argininosuccinic acid_TMS_136	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2841.98
Gas Chromatography	Argininosuccinic acid_TMS_137	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2196.45
Gas Chromatography	Argininosuccinic acid_TMS_138	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2007.03
Gas Chromatography	Argininosuccinic acid_TMS_139	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2081.7
Gas Chromatography	Argininosuccinic acid_TMS_140	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2420.25
Gas Chromatography	Argininosuccinic acid_TMS_141	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2242.25
Gas Chromatography	Argininosuccinic acid_TMS_142	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2191.79
Gas Chromatography	Argininosuccinic acid_TMS_143	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2926.58
Gas Chromatography	Argininosuccinic acid_TMS_144	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1268.42
Gas Chromatography	Argininosuccinic acid_TMS_145	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2317.27
Gas Chromatography	Argininosuccinic acid_TMS_146	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2573.47
Gas Chromatography	Argininosuccinic acid_TMS_147	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1062.27
Gas Chromatography	Argininosuccinic acid_TMS_148	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1344.82
Gas Chromatography	Argininosuccinic acid_TMS_149	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2262.82
Gas Chromatography	Argininosuccinic acid_TMS_150	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2518.27
Gas Chromatography	Argininosuccinic acid_TMS_151	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1639.92
Gas Chromatography	Argininosuccinic acid_TMS_152	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	141.891
Gas Chromatography	Argininosuccinic acid_TMS_153	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1958.56
Gas Chromatography	Argininosuccinic acid_TMS_154	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1614.31
Gas Chromatography	Argininosuccinic acid_TMS_155	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1063.91
Gas Chromatography	Argininosuccinic acid_TMS_156	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2762.74
Gas Chromatography	Argininosuccinic acid_TMS_157	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1936.71
Gas Chromatography	Argininosuccinic acid_TMS_158	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1640.17
Gas Chromatography	Argininosuccinic acid_TMS_159	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1955.57
Gas Chromatography	Argininosuccinic acid_TMS_160	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2429.85
Gas Chromatography	Argininosuccinic acid_TMS_161	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	3668.62
Gas Chromatography	Argininosuccinic acid_TMS_162	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2112.33
Gas Chromatography	Argininosuccinic acid_TMS_163	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2607.65
Gas Chromatography	Argininosuccinic acid_TMS_164	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2052.17
Gas Chromatography	Argininosuccinic acid_TMS_165	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2197.22
Gas Chromatography	Argininosuccinic acid_TMS_166	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2759.11
Gas Chromatography	Argininosuccinic acid_TMS_167	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2819.51
Gas Chromatography	Argininosuccinic acid_TMS_168	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1777.45
Gas Chromatography	Argininosuccinic acid_TMS_169	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2697.48
Gas Chromatography	Argininosuccinic acid_TMS_170	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	4237.78
Gas Chromatography	Argininosuccinic acid_TMS_171	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2154.98
Gas Chromatography	Argininosuccinic acid_TMS_172	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1994.02
Gas Chromatography	Argininosuccinic acid_TMS_173	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2076.08
Gas Chromatography	Argininosuccinic acid_TMS_174	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1292.77
Gas Chromatography	Argininosuccinic acid_TMS_175	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1201.75
Gas Chromatography	Argininosuccinic acid_TMS_176	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2441.32
Gas Chromatography	Argininosuccinic acid_TMS_177	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1765.71
Gas Chromatography	Argininosuccinic acid_TMS_178	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2738.87
Gas Chromatography	Argininosuccinic acid_TMS_179	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2236.18
Gas Chromatography	Argininosuccinic acid_TMS_180	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	948.333
Gas Chromatography	Argininosuccinic acid_TMS_181	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1475.37
Gas Chromatography	Argininosuccinic acid_TMS_182	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2394.87
Gas Chromatography	Argininosuccinic acid_TMS_183	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2404.52
Gas Chromatography	Argininosuccinic acid_TMS_184	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1969.86
Gas Chromatography	Argininosuccinic acid_TMS_185	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1872.15
Gas Chromatography	Argininosuccinic acid_TMS_186	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2401.02
Gas Chromatography	Argininosuccinic acid_TMS_187	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2921.28
Gas Chromatography	Argininosuccinic acid_TMS_188	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1438.31
Gas Chromatography	Argininosuccinic acid_TMS_189	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1161.73
Gas Chromatography	Argininosuccinic acid_TMS_190	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2280.22
Gas Chromatography	Argininosuccinic acid_TMS_191	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1265.74

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Feces
Kidney
Placenta
Prostate
Urine

Tissue Locations

Kidney
Placenta
Prostate

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192229	Adenylosuccinate lyase	Enzyme	P30566	Homo sapiens
MMDBp0192297	Argininosuccinate synthase	Enzyme	P00966	Homo sapiens
MMDBp0192336	Argininosuccinate lyase	Enzyme	P04424	Homo sapiens
MMDBp0193702	Cholinephosphotransferase 1	Unknown	Q8WUD6	Homo sapiens
MMDBp0195860	Argininosuccinate synthase	Enzyme	Q5T6L4	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Arginine Metabolism		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 Escherichia coli CFT073 Myxococcus xanthus DK 1622 Ochrobactrum anthropi Bacillus subtilis Pseudomonas stutzeri Klebsiella pneumoniae Bacillus cereus Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Mycobacterium tuberculosis CDC1551 Bacillus amyloliquefaciens Salmonella enterica Staphylococcus aureus Rhodospirillum rubrum ATCC 11170 Methanoculleus marisnigri Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acidaminococcus intestini RyC-MR95 Acinetobacter baumannii Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Alkalihalobacillus pseudofirmus OF4 Bacillus timonensis 10403023 Blautia hansenii DSM 20583 Brevibacillus brevis NBRC 100599 Clostridium beijerinckii NCIMB 8052 Clostridium saccharolyticum Clostridium sticklandii Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Parabacteroides distasonis Parabacteroides goldsteinii dnLKV18 Thermus thermophilus Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti 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 vulnificus Cytophaga hutchinsonii Rhodopseudomonas palustris Ruminococcus albus Staphylococcus epidermidis Deinococcus radiodurans Bacillus licheniformis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Mycobacterium avium Roseobacter denitrificans Acidothermus cellulolyticus Neisseria subflava Staphylococcus saprophyticus Stenotrophomonas maltophilia Actinosynnema mirum Blautia hydrogenotrophica Acidimicrobium ferrooxidans Desulfotomaculum reducens Burkholderia vietnamiensis Enterobacter cancerogenus Bacillus clausii Bacillus pseudofirmus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Citrobacter youngae Burkholderia ambifaria Alicycliphilus denitrificans Shewanella denitrificans Methylocella silvestris Escherichia albertii Syntrophus aciditrophicus Agrobacterium tumefaciens Blautia hansenii Clostridium beijerinckii Klebsiella variicola Parabacteroides goldsteinii Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 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 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Clostridium sticklandii DSM 519 Corynebacterium aurimucosum ATCC 700975 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 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Kocuria rhizophila DC2201 Laribacter hongkongensis HLHK9 Lysinibacillus sphaericus C3-41 Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Micrococcus luteus NCTC 2665 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 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 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 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 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus epidermidis RP62A Staphylococcus epidermidis ATCC 12228 Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 Staphylococcus aureus subsp. aureus NCTC 8325 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Sulfolobus solfataricus P2 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Odoribacter laneus YIT 12061 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 Laribacter hongkongensis Neisseria macacae Neisseria macacae ATCC 33926 Neisseria meningitidis Neisseria mucosa ATCC 25996 Neisseria subflava NJ9703 Nitrosospira multiformis Aeromonas caviae Aeromonas media Aeromonas veronii 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 Hafnia alvei Hafnia alvei ATCC 51873 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 Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Actinomyces naeslundii Actinomyces naeslundii str. Howell 279 Corynebacterium amycolatum Corynebacterium aurimucosum Corynebacterium durum Corynebacterium durum F0235 Corynebacterium tuberculostearicum Gordonia terrae C-6 Rhodococcus erythropolis Brevibacterium casei Brevibacterium casei S18 Brevibacterium linens Microbacterium oleivorans Kocuria palustris PEL Streptomyces avermitilis Thermomonospora curvata Bacillus altitudinis Bacillus infantis NRRL B-14911 Bacillus firmus DS1 Lysinibacillus sphaericus Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Exiguobacterium aurantiacum Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium sartagoforme AAU1 Anaerofustis stercorihominis Anaerofustis stercorihominis DSM 17244 Blautia hydrogenotrophica DSM 10507 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] symbiosum WAL-14163 [Ruminococcus] gnavus ATCC 29149 Clostridium spiroforme [Clostridium] spiroforme DSM 1552 Acidaminococcus intestini Megasphaera elsdenii 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 Clostridioides difficile 630 Clostridioides difficile NAP08 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Lachnoclostridium phytofermentans ISDg Acidimicrobium ferrooxidans DSM 10331 Acidothermus cellulolyticus 11B Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Catenulispora acidiphila DSM 44928 Clavibacter michiganensis subsp. michiganensis NCPPB 382 Clostridium novyi NT Clostridium thermocellum ATCC 27405 Conexibacter woesei DSM 14684 Deinococcus radiodurans R1 Deinococcus geothermalis DSM 11300 Desulfotomaculum reducens MI-1 Exiguobacterium sibiricum 255-15 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Gordonia bronchialis DSM 43247 Intrasporangium calvum DSM 43043 Kineococcus radiotolerans SRS30216 Kribbella flavida DSM 17836 Meiothermus ruber DSM 1279 Mycobacterium bovis AF2122/97 Mycobacterium vanbaalenii PYR-1 Mycobacterium bovis BCG str. Pasteur 1173P2 Mycobacterium tuberculosis H37Ra Mycobacterium abscessus ATCC 19977 Mycobacterium sp. Spyr1 Mycobacterium sp. JDM601 Mycobacterium canettii CIPT 140010059 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Oceanobacillus iheyensis HTE831 Bacillus tusciae DSM 2912 Pseudonocardia dioxanivorans CB1190 Renibacterium salmoninarum ATCC 33209 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Rubrobacter xylanophilus DSM 9941 Salinispora tropica CNB-440 Sphaerobacter thermophilus DSM 20745 Staphylococcus carnosus subsp. carnosus TM300 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 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus phoenicis Aspergillus ruber Aspergillus glaucus Aspergillus aculeatus ATCC 16872 Aspergillus niger ATCC 1015 Aspergillus wentii Aspergillus fumigatus A1163 Aspergillus tamarii Aspergillus violaceofuscus Penicillium griseofulvum Penicillium hordei Penicillium roqueforti FM164 Penicillium solitum 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 Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Klebsiella aerogenes KCTC 2190 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 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 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Anaeromyxobacter dehalogenans 2CP-C Anaeromyxobacter sp. Fw109-5 Anaeromyxobacter sp. K Anaeromyxobacter dehalogenans 2CP-1 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Bordetella petrii DSM 12804 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 Pelagibacter ubique HTCC1062 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Clostridium lentocellum DSM 5427 Chitinophaga pinensis DSM 2588 Chloroflexus aurantiacus J-10-fl Chloroflexus aggregans DSM 9485 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Cyanothece sp. PCC 8801 Cyanothece sp. PCC 7424 Cytophaga hutchinsonii ATCC 33406 Deinococcus deserti VCD115 Desulfitobacterium hafniense Y51 Desulfitobacterium hafniense DCB-2 Desulfomicrobium baculatum DSM 4028 Dickeya dadantii Ech703 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Erythrobacter litoralis HTCC2594 Ferrimonas balearica DSM 9799 Gluconacetobacter diazotrophicus PAl 5 Gramella forsetii KT0803 Hahella chejuensis KCTC 2396 Haliangium ochraceum DSM 14365 Haloterrigena turkmenica DSM 5511 Halothiobacillus neapolitanus c2 Herpetosiphon aurantiacus DSM 785 Hyphomonas neptunium ATCC 15444 Idiomarina loihiensis L2TR Isosphaera pallida ATCC 43644 Jannaschia sp. CCS1 Klebsiella pneumoniae 342 Legionella pneumophila subsp. pneumophila str. Philadelphia 1 Legionella pneumophila str. Lens Legionella longbeachae NSW150 Leptothrix cholodnii SP-6 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 Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Methylobacterium extorquens AM1 Methylobacterium extorquens DM4 Methylocella silvestris BL2 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 Nitrosospira multiformis ATCC 25196 Novosphingobium aromaticivorans DSM 12444 Bordetella bronchiseptica RB50 Xanthomonas axonopodis pv. citri str. 306 Chromobacterium violaceum ATCC 12472 Bdellovibrio bacteriovorus HD100 Thermus thermophilus HB27 Synechococcus sp. JA-2-3B'a(2-13) Sorangium cellulosum 'So ce 56' Alteromonas macleodii str. 'Deep ecotype' Gemmatimonas aurantiaca T-27 Denitrovibrio acetiphilus DSM 12809 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 carotovorum subsp. carotovorum PC1 Pedobacter heparinus DSM 2366 Phenylobacterium zucineum HLK1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Planctomyces limnophilus DSM 3776 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Prochlorococcus marinus subsp. marinus str. CCMP1375 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 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 cryohalolentis K5 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 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. 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 Sphingobium japonicum UT26S Sphingomonas wittichii RW1 Sphingopyxis alaskensis RB2256 Syntrophus aciditrophicus SB Taylorella equigenitalis MCE9 Teredinibacter turnerae T7901 Thermomicrobium roseum DSM 5159 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 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 Neisseria meningitidis serogroup C Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25
Aspartate Metabolism 1648490207
Aspartate Metabolism 1648490310

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
MMDBr0018111	L-Aspartic acid	Argininosuccinic acid	Argininosuccinate synthase	Synthesis	PathBank	31602464
MMDBr0018114	Argininosuccinic acid	Fumaric acid	Argininosuccinate lyase	Non-hydrolytic bond cleavage (or its reversal)	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Argininosuccinic aciduria	Increased	Association	Human Urine	HMDB	12408190
Argininosuccinic aciduria	Increased	Association	Human Blood	HMDB	12408190
Argininosuccinic aciduria	Increased	Association	Human Urine	HMDB	5075233
Argininemia		Association	Human Urine	HMDB	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Actinobacteria	167	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human nasopharyngeal swab; Human supragingival plaque; Human mucosa; Human subgingival plaque; Cattle	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	412	Human ; Human mucosa; Human feces; Human saliva; Human sputum; Pig ; Human subgingival plaque; Human urine; Cattle ; Catfish	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	508	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Cattle ; River trout ; Rat ; Sheep ; Dog ; Chicken ; Turkey	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	92	Human feces; Human appendix biopsy; Human ; Human saliva; Human gastric fluid; Human urine	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	2	Human ; Human mucosa; Human feces; Human saliva; Human sputum; Pig ; Human subgingival plaque; Human urine; Cattle ; Catfish	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	15	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	7		Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	2	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Cyanobacteria	35	Human
Bacteria/Eubacteria	Acidobacteria	3
Bacteria/Eubacteria	Aquificae	3
Archaea/Archaea	Euryarchaeota	29		Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	7	Pig ; Human
Bacteria/Eubacteria	Chlorobi	10
Bacteria/Eubacteria	Chloroflexi	9
Bacteria/Eubacteria	Deinococcus-thermus	5
Bacteria	Proteobacteria	10	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Cattle ; River trout ; Rat ; Sheep ; Dog ; Chicken ; Turkey	Metabolic reconstruction
Bacteria/Eubacteria	Dictyoglomi	2
Bacteria/Eubacteria	Elusimicrobia	1
Bacteria/Eubacteria	Gemmatimonadetes	1
Archaea/Archaea	Crenarchaeota	10		Metabolic reconstruction
Bacteria/Eubacteria	Thermotogae	6
Eukaryota/Fungi	Ascomycota	5	Human feces; Human saliva; Human supragingival plaque	Unknown
Bacteria	Actinobacteria	2	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human nasopharyngeal swab; Human supragingival plaque; Human mucosa; Human subgingival plaque; Cattle	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	nah	1
Archaea/Archaea	Thaumarchaeota	1		Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified								HMDB
Human Urine	Detected and Quantified	667			umol/mmol creatinine	Infant (0-1 year old)	Male	Argininosuccinic aciduria (ASL)	HMDB	12408190
Human Blood	Detected and Quantified	1515			uM	Infant (0-1 year old)	Male	Argininosuccinic aciduria (ASL)	HMDB	12408190
Human Urine	Detected and Quantified	1542			umol/mmol creatinine	Adult (>18 years old)	Both	Argininosuccinic aciduria (ASL)	HMDB	5075233
Human Blood	Detected and Quantified	300.0	270.0	458.0	uM	Children (1-13 years old)	Female	Argininosuccinyl-CoA lyase deficiency	HMDB	8582405
Human Urine	Detected and Quantified	0			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	21312326
Human Blood	Detected and Quantified	<2			uM	Infant (0-1 year old)	Male	Normal	HMDB	12408190
Human Urine	Detected and Quantified	<4			umol/mmol creatinine	Infant (0-1 year old)	Male	Normal	HMDB	12408190
Human Urine	Detected and Quantified		0	99	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	31506554
Human Urine	Detected and Quantified	0.65	0.0	1.3	umol/mmol creatinine	Children (1-13 years old)	Both	Argininemia	HMDB	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)
Human Blood	Detected and Quantified		0	1	uM	Children (1 - 13 years old)	Both	Normal	HMDB	Argininosuccinate Lyase Deficiency. 2011 Feb 3 [Updated 2012 Feb 2]. In: Adam MP, Ardinger HH, Pagon RA, et al., editors. Available from: https://www.ncbi.nlm.nih.gov/books/NBK51784/GeneReviews®. Seattle (WA).
Human Blood	Detected and Quantified		0	5	uM	Newborn (0-30 days old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified		0	5	uM	Infant (1 - 3 months old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified		0	5	uM	Children (3 months - 6 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified		0	5	uM	Children (6 - 18 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified	<0.433			umol/mmol creatinine	Not Specified	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 Urine	Detected and Quantified	<1.70			umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified	<2.71			umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified	<4.19			umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified	<5.43			umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified	<7.81			umol/mmol creatinine	Adolescent (13-18 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified	<8.71			umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Kidney	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Urine	Detected but not Quantified					Not Specified	Male	Normal	HMDB	32822159
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

HMDB0000052

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Argininosuccinic acid

METLIN ID

5115

PubChem Compound

16950

PDB ID

Not Available

ChEBI ID

15682

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Glick NR, Snodgrass PJ, Schafer IA: Neonatal argininosuccinic aciduria with normal brain and kidney but absent liver argininosuccinate lyase activity. Am J Hum Genet. 1976 Jan;28(1):22-30. [PubMed:174426 ]
Fleisher LD, Rassin DK, Desnick RJ, Salwen HR, Rogers P, Bean M, Gaull GE: Argininosuccinic aciduria: prenatal studies in a family at risk. Am J Hum Genet. 1979 Jul;31(4):439-45. [PubMed:484552 ]
Michels VV, Beaudet AL: Arginase deficiency in multiple tissues in argininemia. Clin Genet. 1978 Jan;13(1):61-7. doi: 10.1111/j.1399-0004.1978.tb04128.x. [PubMed:624188 ]
Pelli N, Fensom AH, Slade C, Boa F, Mieli-Vergani G, Vergani D: Argininosuccinate lyase: a new autoantigen in liver disease. Clin Exp Immunol. 1998 Dec;114(3):455-61. doi: 10.1046/j.1365-2249.1998.00754.x. [PubMed:9844057 ]
Wasant P, Srisomsap C, Liammongkolkul S, Svasti J: Urea cycle disorders in Thai infants: a report of 5 cases. J Med Assoc Thai. 2002 Aug;85 Suppl 2:S720-31. [PubMed:12403252 ]
Kleijer WJ, Garritsen VH, Linnebank M, Mooyer P, Huijmans JG, Mustonen A, Simola KO, Arslan-Kirchner M, Battini R, Briones P, Cardo E, Mandel H, Tschiedel E, Wanders RJ, Koch HG: Clinical, enzymatic, and molecular genetic characterization of a biochemical variant type of argininosuccinic aciduria: prenatal and postnatal diagnosis in five unrelated families. J Inherit Metab Dis. 2002 Sep;25(5):399-410. doi: 10.1023/a:1020108002877. [PubMed:12408190 ]
Reid Sutton V, Pan Y, Davis EC, Craigen WJ: A mouse model of argininosuccinic aciduria: biochemical characterization. Mol Genet Metab. 2003 Jan;78(1):11-6. doi: 10.1016/s1096-7192(02)00206-8. [PubMed:12559843 ]
Au WL, Lim TC, Seow DC, Koh PL, Loh NK, Lim MS, Tan IK, Yee WC: Serial diffusion-weighted magnetic resonance imaging in adult-onset citrullinaemia. J Neurol Sci. 2003 May 15;209(1-2):101-4. doi: 10.1016/s0022-510x(02)00439-2. [PubMed:12686410 ]
Cohen BD: Methyl group deficiency and guanidino production in uremia. Mol Cell Biochem. 2003 Feb;244(1-2):31-6. [PubMed:12701806 ]
Scaglia F, Brunetti-Pierri N, Kleppe S, Marini J, Carter S, Garlick P, Jahoor F, O'Brien W, Lee B: Clinical consequences of urea cycle enzyme deficiencies and potential links to arginine and nitric oxide metabolism. J Nutr. 2004 Oct;134(10 Suppl):2775S-2782S; discussion 2796S-2797S. doi: 10.1093/jn/134.10.2775S. [PubMed:15465784 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Argininosuccinic acid (MMDBc0000327)

MOL for #<Metabolite:0x00007f2e30ffba80>

3D MOL for #<Metabolite:0x00007f2e30ffba80>

3D SDF for #<Metabolite:0x00007f2e30ffba80>

3D-SDF for #<Metabolite:0x00007f2e30ffba80>

PDB for #<Metabolite:0x00007f2e30ffba80>

3D PDB for #<Metabolite:0x00007f2e30ffba80>

SMILES for #<Metabolite:0x00007f2e30ffba80>

INCHI for #<Metabolite:0x00007f2e30ffba80>

Structure for #<Metabolite:0x00007f2e30ffba80>

3D Structure for #<Metabolite:0x00007f2e30ffba80>