MiMeDB: Showing metabocard for N2-Succinyl-L-ornithine (MMDBc0029587)

Microbial

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:33:22 UTC

Update Date

2024-10-13 13:46:43 UTC

Metabolite ID

MMDBc0029587

Metabolite Identification

Common Name

N2-Succinyl-L-ornithine

Description

N2-Succinyl-L-ornithine is a substrate for Ornithine aminotransferase (mitochondrial).

Structure

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

HMDB0001199
     RDKit          3D
N2-Succinyl-L-ornithine
 32 31  0  0  0  0  0  0  0  0999 V2000
   -4.4934    1.4718   -0.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1506    0.9601   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -0.5155   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526   -1.0636   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -0.4015    0.5642 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5564   -1.0409    0.1873 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001   -0.2620   -0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4225    0.9745   -0.4951 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9429   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915   -0.0044   -1.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2818    1.0625   -0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220    1.2157    0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2289    1.9852   -0.7728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9611   -0.5752    2.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741   -1.2357    2.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -0.0215    2.6091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6101    2.3857   -0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6815    1.5880    0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8485    1.1705   -1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4679    1.4862    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4744   -0.7054    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8111   -1.0404   -0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7022   -2.1695   -0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622   -0.8779   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469    0.6842    0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609   -2.0522    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2409   -1.4564    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246   -1.7025   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8104   -0.6212   -1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616    0.4280   -2.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2214    1.8372   -0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6504   -0.5607    3.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  1
  6 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 13 31  1  0
 16 32  1  0
M  END


  Mrv0541 02231218592D          

 16 15  0  0  1  0            999 V2000
    0.8047   -0.7744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8010    0.0532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0873   -1.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185   -1.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8047    0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -0.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185   -2.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2359   -0.7744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912    1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185    1.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -1.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264    0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0576   -0.7744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400    1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3363    2.1145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537    0.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029587

> <DATABASE_NAME>
MIME

> <SMILES>
NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1

> <INCHI_KEY>
VWXQFHJBQHTHMK-LURJTMIESA-N

> <FORMULA>
C9H16N2O5

> <MOLECULAR_WEIGHT>
232.2337

> <EXACT_MASS>
232.105921632

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
22.765175228727628

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-5-amino-2-(3-carboxypropanamido)pentanoic acid

> <ALOGPS_LOGP>
-3.37

> <JCHEM_LOGP>
-4.065900625952266

> <ALOGPS_LOGS>
-1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.086430528781067

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3188365035952154

> <JCHEM_PKA_STRONGEST_BASIC>
9.904213305041136

> <JCHEM_POLAR_SURFACE_AREA>
129.72

> <JCHEM_REFRACTIVITY>
53.5456

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.93e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N(2)-succinyl-L-ornithine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001199
     RDKit          3D
N2-Succinyl-L-ornithine
 32 31  0  0  0  0  0  0  0  0999 V2000
   -4.4934    1.4718   -0.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1506    0.9601   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -0.5155   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526   -1.0636   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -0.4015    0.5642 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5564   -1.0409    0.1873 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001   -0.2620   -0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4225    0.9745   -0.4951 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9429   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915   -0.0044   -1.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2818    1.0625   -0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220    1.2157    0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2289    1.9852   -0.7728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9611   -0.5752    2.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741   -1.2357    2.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -0.0215    2.6091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6101    2.3857   -0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6815    1.5880    0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8485    1.1705   -1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4679    1.4862    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4744   -0.7054    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8111   -1.0404   -0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7022   -2.1695   -0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622   -0.8779   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469    0.6842    0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609   -2.0522    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2409   -1.4564    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246   -1.7025   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8104   -0.6212   -1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616    0.4280   -2.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2214    1.8372   -0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6504   -0.5607    3.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  1
  6 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 13 31  1  0
 16 32  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       1.502  -1.446   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       1.495   0.099   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       0.163  -2.218   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.835  -2.218   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.502   1.637   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.169  -1.446   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.835  -3.756   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       4.174  -1.446   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.170   2.409   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.835   2.409   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.501  -2.218   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.169   1.637   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -3.841  -1.446   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      -2.501   2.409   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.494   3.947   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -3.834   1.630   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6                                                       
CONECT    4    1    7    8                                                  
CONECT    5    2    9   10                                                  
CONECT    6    3   11                                                       
CONECT    7    4                                                            
CONECT    8    4                                                            
CONECT    9    5   12                                                       
CONECT   10    5                                                            
CONECT   11    6   13                                                       
CONECT   12    9   14                                                       
CONECT   13   11                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

COMPND    HMDB0001199
HETATM    1  N1  UNL     1      -4.493   1.472  -0.068  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.151   0.960  -0.317  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.120  -0.516  -0.038  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.753  -1.064  -0.300  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.716  -0.401   0.564  1.00  0.00           C  
HETATM    6  N2  UNL     1       0.556  -1.041   0.187  1.00  0.00           N  
HETATM    7  C5  UNL     1       1.600  -0.262  -0.348  1.00  0.00           C  
HETATM    8  O1  UNL     1       1.423   0.974  -0.495  1.00  0.00           O  
HETATM    9  C6  UNL     1       2.866  -0.943  -0.716  1.00  0.00           C  
HETATM   10  C7  UNL     1       3.892  -0.004  -1.271  1.00  0.00           C  
HETATM   11  C8  UNL     1       4.282   1.063  -0.350  1.00  0.00           C  
HETATM   12  O2  UNL     1       3.822   1.216   0.814  1.00  0.00           O  
HETATM   13  O3  UNL     1       5.229   1.985  -0.773  1.00  0.00           O  
HETATM   14  C9  UNL     1      -0.961  -0.575   2.006  1.00  0.00           C  
HETATM   15  O4  UNL     1      -0.174  -1.236   2.760  1.00  0.00           O  
HETATM   16  O5  UNL     1      -2.066  -0.022   2.609  1.00  0.00           O  
HETATM   17  H1  UNL     1      -4.610   2.386  -0.587  1.00  0.00           H  
HETATM   18  H2  UNL     1      -4.681   1.588   0.944  1.00  0.00           H  
HETATM   19  H3  UNL     1      -2.849   1.170  -1.360  1.00  0.00           H  
HETATM   20  H4  UNL     1      -2.468   1.486   0.360  1.00  0.00           H  
HETATM   21  H5  UNL     1      -3.474  -0.705   0.985  1.00  0.00           H  
HETATM   22  H6  UNL     1      -3.811  -1.040  -0.783  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.702  -2.169  -0.104  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.462  -0.878  -1.377  1.00  0.00           H  
HETATM   25  H9  UNL     1      -0.647   0.684   0.347  1.00  0.00           H  
HETATM   26  H10 UNL     1       0.661  -2.052   0.323  1.00  0.00           H  
HETATM   27  H11 UNL     1       3.241  -1.456   0.176  1.00  0.00           H  
HETATM   28  H12 UNL     1       2.625  -1.703  -1.484  1.00  0.00           H  
HETATM   29  H13 UNL     1       4.810  -0.621  -1.469  1.00  0.00           H  
HETATM   30  H14 UNL     1       3.562   0.428  -2.232  1.00  0.00           H  
HETATM   31  H15 UNL     1       6.221   1.837  -0.654  1.00  0.00           H  
HETATM   32  H16 UNL     1      -2.650  -0.561   3.242  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3   19   20
CONECT    3    4   21   22
CONECT    4    5   23   24
CONECT    5    6   14   25
CONECT    6    7   26
CONECT    7    8    8    9
CONECT    9   10   27   28
CONECT   10   11   29   30
CONECT   11   12   12   13
CONECT   13   31
CONECT   14   15   15   16
CONECT   16   32
END

HMDB0001199
     RDKit          3D
N2-Succinyl-L-ornithine
 32 31  0  0  0  0  0  0  0  0999 V2000
   -4.4934    1.4718   -0.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1506    0.9601   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -0.5155   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526   -1.0636   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -0.4015    0.5642 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5564   -1.0409    0.1873 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001   -0.2620   -0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4225    0.9745   -0.4951 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9429   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915   -0.0044   -1.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2818    1.0625   -0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220    1.2157    0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2289    1.9852   -0.7728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9611   -0.5752    2.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741   -1.2357    2.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -0.0215    2.6091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6101    2.3857   -0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6815    1.5880    0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8485    1.1705   -1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4679    1.4862    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4744   -0.7054    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8111   -1.0404   -0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7022   -2.1695   -0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622   -0.8779   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469    0.6842    0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609   -2.0522    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2409   -1.4564    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246   -1.7025   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8104   -0.6212   -1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616    0.4280   -2.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2214    1.8372   -0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6504   -0.5607    3.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  1
  6 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 13 31  1  0
 16 32  1  0
M  END

Synonyms

Value	Source
(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid	ChEBI
(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoate	Generator
N(2)-Succinylornithine	MeSH, HMDB

Molecular Formula

C₉H₁₆N₂O₅

Average Mass

232.2337

Monoisotopic Mass

232.105921632

IUPAC Name

(2S)-5-amino-2-(3-carboxypropanamido)pentanoic acid

Traditional Name

N(2)-succinyl-L-ornithine

CAS Registry Number

899816-95-6

SMILES

NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1

InChI Key

VWXQFHJBQHTHMK-LURJTMIESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Substituents

N-acyl-alpha-amino acid
Dicarboxylic acid or derivatives
Fatty acid
Amino acid
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

N2-acyl-L-ornithine (CHEBI:27574 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	19.3 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-4.1	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	9.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	129.72 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	53.55 m³·mol⁻¹	ChemAxon
Polarizability	22.77 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ff0-9610000000-1af67530deea92b41b8f	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-0fk9-9503000000-ccfda4708de94e54a1c3	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 LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-1980000000-48dfa190961bff3d4c04	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00kr-4910000000-147b5d055aa4df15832b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-05bu-9300000000-7753e2324c53fb1a9bbf	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-1590000000-7220acde23393da31fcd	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03yr-2930000000-54b93844adeb0598b830	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-01p6-9400000000-2d2a7a13dc540aee65f1	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0290000000-db7660f1ec05b2bb726a	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-0900000000-4b1a14f366c4d0264c29	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-052g-9200000000-118e5075d899afb63080	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00lr-0590000000-4fdba4afafbe1d612426	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-2900000000-2ac0bb0ec091959fa9ca	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9100000000-8517f2f0a72964c5c39a	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	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	511.5
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	384.8
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	53.5
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	243.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	267.0
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	238.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	426.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	865.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	531.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	146.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	515.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	160.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	59.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	422.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	761.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	45.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	213.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	675.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	554.4

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_1	C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN)C(=O)O	standard non polar	2025-10-23	2245.17
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_2	C[Si](C)(C)OC(=O)[C@H](CCCN)NC(=O)CCC(=O)O	standard non polar	2025-10-23	1391.55
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_3	C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O	standard non polar	2025-10-23	2000.43
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_4	C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN)C(=O)O	standard non polar	2025-10-23	1761.71
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_5	C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1976.42
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_6	C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1964.3
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_7	C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1735.72
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_8	C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2823.86
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_9	C[Si](C)(C)OC(=O)[C@H](CCCN)N(C(=O)CCC(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2194.14
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_10	C[Si](C)(C)N(CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1607.82
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_11	C[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2149.45
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_12	C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1665.09
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_13	C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1744.39
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_14	C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1833.56
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_15	C[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1950.55
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_16	C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CCC(=O)O	standard non polar	2025-10-23	1307.02
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_17	C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1849.09
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_18	C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1868.49
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_19	C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1910.86
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_20	C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1918.33
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_21	C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1536.51
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_22	C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1587.02
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_23	C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2124.65
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_1	C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN)C(=O)O	standard polar	2025-10-23	1719.24
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_2	C[Si](C)(C)OC(=O)[C@H](CCCN)NC(=O)CCC(=O)O	standard polar	2025-10-23	2163.46
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_3	C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O	standard polar	2025-10-23	1981.19
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_4	C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN)C(=O)O	standard polar	2025-10-23	2150.98
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_5	C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2114.81
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_6	C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2027.75
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_7	C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1757.55
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_8	C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2209.14
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_9	C[Si](C)(C)OC(=O)[C@H](CCCN)N(C(=O)CCC(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2611.08
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_10	C[Si](C)(C)N(CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2060.45
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_11	C[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1558.09
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_12	C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2095.55
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_13	C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2474.02
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_14	C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1560.31
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_15	C[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2164.73
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_16	C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CCC(=O)O	standard polar	2025-10-23	2178.86
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_17	C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1996.25
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_18	C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	3072.39
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_19	C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2138.92
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_20	C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2312.62
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_21	C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2199.17
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_22	C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1869.4
Gas Chromatography	N2-Succinyl-L-ornithine_TMS_23	C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2939.33

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
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

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
MMDBr0018132	N2-succinyl-L-arginine	N2-Succinyl-L-ornithine	N-succinylarginine dihydrolase	Hydrolysis of bond	PathBank	31602464
MMDBr0018133	Oxoglutaric acid	L-Glutamic acid	Succinylornithine transaminase	Transfer of amino group	PathBank	31602464

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	3	Human ; Human feces; Human sputum; Human unknown; Human feces; pleural fluid plaque; bal; Human pleural fluid plaque; Pig ; Human dental plaque; Human nasal swab	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	267	Human ; Human feces; Human sputum; Human unknown; Human feces; pleural fluid plaque; bal; Human pleural fluid plaque; Pig ; Human dental plaque; Human nasal swab	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	78	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Human nasopharyngeal swab	Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	173	Human ; Human feces; Pig ; Human subgingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	98	Human feces; Human appendix biopsy; Human ; Human saliva; Human gastric fluid; Human subgingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Archaea	Euryarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	2	Human feces	Metabolic reconstruction

Exposure Sources

Other Exposures

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

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

HMDB0001199

DrugBank ID

DB03582

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022485

KNApSAcK ID

Not Available

Chemspider ID

113025

KEGG Compound ID

C03415

BioCyc ID

N2-SUCCINYLORNITHINE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6075

PubChem Compound

127370

PDB ID

Not Available

ChEBI ID

27574

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]
Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]
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Showing metabocard for N2-Succinyl-L-ornithine (MMDBc0029587)

MOL for #<Metabolite:0x00007f2e511e3d28>

3D MOL for #<Metabolite:0x00007f2e511e3d28>

3D SDF for #<Metabolite:0x00007f2e511e3d28>

3D-SDF for #<Metabolite:0x00007f2e511e3d28>

PDB for #<Metabolite:0x00007f2e511e3d28>

3D PDB for #<Metabolite:0x00007f2e511e3d28>

SMILES for #<Metabolite:0x00007f2e511e3d28>

INCHI for #<Metabolite:0x00007f2e511e3d28>

Structure for #<Metabolite:0x00007f2e511e3d28>

3D Structure for #<Metabolite:0x00007f2e511e3d28>