MiMeDB: Showing metabocard for (S)-Succinyldihydrolipoamide (MMDBc0031895)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:53:52 UTC

Update Date

2022-08-31 18:25:49 UTC

Metabolite ID

MMDBc0031895

Metabolite Identification

Common Name

(S)-Succinyldihydrolipoamide

Description

(S)-Succinyldihydrolipoamide is a metabolite (a product as well as a substrate) in glutamate degradation. It is also invovled in citrate cycle and is a reactant for oxoglutarate dehydrogenase (EC 1.2.4.2) and dihydrolipoyllysine-residue succinyltransferase (EC 2.3.1.61).

Structure

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

HMDB0001177
     RDKit          3D
(S)-Succinyldihydrolipoamide
 40 39  0  0  0  0  0  0  0  0999 V2000
    6.0119   -2.2906   -0.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416   -2.1043    0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245   -2.8707    1.2636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9058   -0.9789   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -1.0130    0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7297    0.1434    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261    0.0472    0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854    1.1459    0.5672 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1493    2.5159    0.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8155    3.6155    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0922    5.2387    0.7172 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0997    1.1601    1.3061 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1439   -0.1125    0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2803   -0.2738    1.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -1.0377   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9081   -1.9552   -0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0080   -1.1186   -1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9549    0.1323   -1.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2093   -1.7048   -1.6428 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5264   -3.1808   -0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4475   -1.5798   -0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7691   -1.0169   -1.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4297   -0.0432    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578   -1.9501    0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7494   -0.8949    1.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2779    1.0743    0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5122    0.0178   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6754    0.1341    2.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426   -0.9470    0.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    1.1264   -0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947    2.6341    1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0430    2.6178    0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    3.5050   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7579    3.5436    0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4744    6.1594   -0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9368   -1.6926    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3908   -0.4634   -1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2348   -2.5727    0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5644   -2.6393   -1.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1368   -2.3704   -2.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 11 35  1  0
 15 36  1  0
 15 37  1  0
 16 38  1  0
 16 39  1  0
 19 40  1  0
M  END


  Mrv0541 02231218582D          

 19 18  0  0  1  0            999 V2000
   -1.2341   -0.8491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2376   -0.0206    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191   -1.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9492   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5294    0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960   -0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608   -0.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328    1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1856   -0.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075   -1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6641   -0.0275    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787    1.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226   -0.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1754    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376   -1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8835    2.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5431    2.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491   -0.8353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3342   -2.0764    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
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0031895

> <DATABASE_NAME>
MIME

> <SMILES>
NC(=O)CCCC[C@H](CCS)SC(=O)CCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(7-8-18)19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)/t9-/m1/s1

> <INCHI_KEY>
RJCJWONCSKSHES-SECBINFHSA-N

> <FORMULA>
C12H21NO4S2

> <MOLECULAR_WEIGHT>
307.429

> <EXACT_MASS>
307.091199545

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
32.861049423013746

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-{[(3R)-7-carbamoyl-1-sulfanylheptan-3-yl]sulfanyl}-4-oxobutanoic acid

> <ALOGPS_LOGP>
1.97

> <JCHEM_LOGP>
1.061330826

> <ALOGPS_LOGS>
-3.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.190901926454105

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.376388081756565

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5791148779299317

> <JCHEM_POLAR_SURFACE_AREA>
97.46000000000001

> <JCHEM_REFRACTIVITY>
78.11989999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-{[(3R)-7-carbamoyl-1-sulfanylheptan-3-yl]sulfanyl}-4-oxobutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001177
     RDKit          3D
(S)-Succinyldihydrolipoamide
 40 39  0  0  0  0  0  0  0  0999 V2000
    6.0119   -2.2906   -0.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416   -2.1043    0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245   -2.8707    1.2636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9058   -0.9789   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -1.0130    0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7297    0.1434    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261    0.0472    0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854    1.1459    0.5672 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1493    2.5159    0.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8155    3.6155    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0922    5.2387    0.7172 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0997    1.1601    1.3061 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1439   -0.1125    0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2803   -0.2738    1.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -1.0377   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9081   -1.9552   -0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0080   -1.1186   -1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9549    0.1323   -1.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2093   -1.7048   -1.6428 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5264   -3.1808   -0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4475   -1.5798   -0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7691   -1.0169   -1.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4297   -0.0432    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578   -1.9501    0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7494   -0.8949    1.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2779    1.0743    0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5122    0.0178   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6754    0.1341    2.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426   -0.9470    0.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    1.1264   -0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947    2.6341    1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0430    2.6178    0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    3.5050   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7579    3.5436    0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4744    6.1594   -0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9368   -1.6926    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3908   -0.4634   -1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2348   -2.5727    0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5644   -2.6393   -1.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1368   -2.3704   -2.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 11 35  1  0
 15 36  1  0
 15 37  1  0
 16 38  1  0
 16 39  1  0
 19 40  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      -2.304  -1.585   0.000  0.00  0.00           C+0
HETATM    2  S   UNK     0      -2.310  -0.038   0.000  0.00  0.00           S+0
HETATM    3  C   UNK     0      -0.969  -2.349   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.639  -2.362   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.988   0.725   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.366  -1.579   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.967  -1.592   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.995   2.265   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.346  -0.038   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.694  -2.342   0.000  0.00  0.00           C+0
HETATM   11  S   UNK     0      -4.973  -0.051   0.000  0.00  0.00           S+0
HETATM   12  C   UNK     0       0.334   3.035   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.029  -1.566   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.327   4.575   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.364  -2.336   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.649   5.339   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -1.014   5.339   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0       5.692  -1.559   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0       4.357  -3.876   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                                                       
CONECT    5    2    8    9                                                  
CONECT    6    3   10                                                       
CONECT    7    4   11                                                       
CONECT    8    5   12                                                       
CONECT    9    5                                                            
CONECT   10    6   13                                                       
CONECT   11    7                                                            
CONECT   12    8   14                                                       
CONECT   13   10   15                                                       
CONECT   14   12   16   17                                                  
CONECT   15   13   18   19                                                  
CONECT   16   14                                                            
CONECT   17   14                                                            
CONECT   18   15                                                            
CONECT   19   15                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0001177
HETATM    1  N1  UNL     1       6.012  -2.291  -0.217  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.742  -2.104   0.371  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.325  -2.871   1.264  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.906  -0.979  -0.089  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.601  -1.013   0.662  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.730   0.143   0.194  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.426   0.047   0.984  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.485   1.146   0.567  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.149   2.516   0.839  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.815   3.615   0.409  1.00  0.00           C  
HETATM   11  S1  UNL     1      -0.092   5.239   0.717  1.00  0.00           S  
HETATM   12  S2  UNL     1      -2.100   1.160   1.306  1.00  0.00           S  
HETATM   13  C9  UNL     1      -3.144  -0.113   0.720  1.00  0.00           C  
HETATM   14  O2  UNL     1      -4.280  -0.274   1.205  1.00  0.00           O  
HETATM   15  C10 UNL     1      -2.748  -1.038  -0.355  1.00  0.00           C  
HETATM   16  C11 UNL     1      -3.908  -1.955  -0.754  1.00  0.00           C  
HETATM   17  C12 UNL     1      -5.008  -1.119  -1.227  1.00  0.00           C  
HETATM   18  O3  UNL     1      -4.955   0.132  -1.292  1.00  0.00           O  
HETATM   19  O4  UNL     1      -6.209  -1.705  -1.643  1.00  0.00           O  
HETATM   20  H1  UNL     1       6.526  -3.181  -0.039  1.00  0.00           H  
HETATM   21  H2  UNL     1       6.447  -1.580  -0.814  1.00  0.00           H  
HETATM   22  H3  UNL     1       3.769  -1.017  -1.177  1.00  0.00           H  
HETATM   23  H4  UNL     1       4.430  -0.043   0.230  1.00  0.00           H  
HETATM   24  H5  UNL     1       2.058  -1.950   0.482  1.00  0.00           H  
HETATM   25  H6  UNL     1       2.749  -0.895   1.753  1.00  0.00           H  
HETATM   26  H7  UNL     1       2.278   1.074   0.371  1.00  0.00           H  
HETATM   27  H8  UNL     1       1.512   0.018  -0.872  1.00  0.00           H  
HETATM   28  H9  UNL     1       0.675   0.134   2.074  1.00  0.00           H  
HETATM   29  H10 UNL     1       0.043  -0.947   0.816  1.00  0.00           H  
HETATM   30  H11 UNL     1      -0.558   1.126  -0.566  1.00  0.00           H  
HETATM   31  H12 UNL     1       0.395   2.634   1.891  1.00  0.00           H  
HETATM   32  H13 UNL     1       1.043   2.618   0.211  1.00  0.00           H  
HETATM   33  H14 UNL     1      -1.016   3.505  -0.680  1.00  0.00           H  
HETATM   34  H15 UNL     1      -1.758   3.544   0.980  1.00  0.00           H  
HETATM   35  H16 UNL     1      -0.474   6.159  -0.278  1.00  0.00           H  
HETATM   36  H17 UNL     1      -1.937  -1.693   0.000  1.00  0.00           H  
HETATM   37  H18 UNL     1      -2.391  -0.463  -1.232  1.00  0.00           H  
HETATM   38  H19 UNL     1      -4.235  -2.573   0.085  1.00  0.00           H  
HETATM   39  H20 UNL     1      -3.564  -2.639  -1.564  1.00  0.00           H  
HETATM   40  H21 UNL     1      -6.137  -2.370  -2.406  1.00  0.00           H  
CONECT    1    2   20   21
CONECT    2    3    3    4
CONECT    4    5   22   23
CONECT    5    6   24   25
CONECT    6    7   26   27
CONECT    7    8   28   29
CONECT    8    9   12   30
CONECT    9   10   31   32
CONECT   10   11   33   34
CONECT   11   35
CONECT   12   13
CONECT   13   14   14   15
CONECT   15   16   36   37
CONECT   16   17   38   39
CONECT   17   18   18   19
CONECT   19   40
END

HMDB0001177
     RDKit          3D
(S)-Succinyldihydrolipoamide
 40 39  0  0  0  0  0  0  0  0999 V2000
    6.0119   -2.2906   -0.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416   -2.1043    0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245   -2.8707    1.2636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9058   -0.9789   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -1.0130    0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7297    0.1434    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261    0.0472    0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854    1.1459    0.5672 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1493    2.5159    0.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8155    3.6155    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0922    5.2387    0.7172 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0997    1.1601    1.3061 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1439   -0.1125    0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2803   -0.2738    1.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -1.0377   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9081   -1.9552   -0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0080   -1.1186   -1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9549    0.1323   -1.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2093   -1.7048   -1.6428 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5264   -3.1808   -0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4475   -1.5798   -0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7691   -1.0169   -1.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4297   -0.0432    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578   -1.9501    0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7494   -0.8949    1.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2779    1.0743    0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5122    0.0178   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6754    0.1341    2.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426   -0.9470    0.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    1.1264   -0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947    2.6341    1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0430    2.6178    0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    3.5050   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7579    3.5436    0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4744    6.1594   -0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9368   -1.6926    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3908   -0.4634   -1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2348   -2.5727    0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5644   -2.6393   -1.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1368   -2.3704   -2.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 11 35  1  0
 15 36  1  0
 15 37  1  0
 16 38  1  0
 16 39  1  0
 19 40  1  0
M  END

Synonyms

Value	Source
S-Succinyl-dihydrolipoamide	HMDB
S-Succinyldihydrolipoamide	HMDB

Molecular Formula

C₁₂H₂₁NO₄S₂

Average Mass

307.429

Monoisotopic Mass

307.091199545

IUPAC Name

4-{[(3R)-7-carbamoyl-1-sulfanylheptan-3-yl]sulfanyl}-4-oxobutanoic acid

Traditional Name

4-{[(3R)-7-carbamoyl-1-sulfanylheptan-3-yl]sulfanyl}-4-oxobutanoic acid

CAS Registry Number

Not Available

SMILES

NC(=O)CCCC[C@H](CCS)SC(=O)CCC(O)=O

InChI Identifier

InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(7-8-18)19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)/t9-/m1/s1

InChI Key

RJCJWONCSKSHES-SECBINFHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Thia fatty acids

Alternative Parents

Substituents

Thia fatty acid
Fatty acyl thioester
Fatty amide
Carboxamide group
Primary carboxylic acid amide
Thiocarboxylic acid ester
Carbothioic s-ester
Sulfenyl compound
Thiocarboxylic acid or derivatives
Alkylthiol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Carbonyl group
Organic oxygen compound
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.1 g/L	ALOGPS
logP	1.97	ALOGPS
logP	1.06	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	4.38	ChemAxon
pKa (Strongest Basic)	-0.58	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	97.46 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	78.12 m³·mol⁻¹	ChemAxon
Polarizability	32.86 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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	splash10-0ukc-9880000000-d66345c90ce5eb67fa60	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-00dl-9533000000-a1ebe0f3e16866573001	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	splash10-0596-0190000000-b49046dab0850898c889	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-006y-2190000000-474bcff100b398100e49	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0nt9-4910000000-247a7886ecdb5a884d7c	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0596-0190000000-b49046dab0850898c889	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-006y-2190000000-474bcff100b398100e49	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0nt9-4910000000-247a7886ecdb5a884d7c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-5294000000-672a48ef8e666cb0ee5f	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4j-9360000000-f9e4f05adcb51d48447c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000x-9100000000-d7f410ba584f3aad89cc	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-1229000000-d6ef878a291e343f754a	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-7970000000-eff246297f1390d8e037	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000x-9500000000-66fb2d1c65f8ee705da4	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0369000000-035798c3620974bb7aab	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03dl-1910000000-e3af53d75b9037036cfe	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udr-5900000000-f70f4c6e3a3b250e485f	2021-09-25	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	204.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	55.0
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	345.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	442.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	367.3
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	232.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	2047.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	161.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	453.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	297.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	275.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	168.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	138.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	239.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	401.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	114.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	246.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1134.0
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	866.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_1	C[Si](C)(C)OC(=O)CCC(=O)S[C@@H](CCS)CCCCC(N)=O	standard non polar	2025-10-24	1853.45
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_2	C[Si](C)(C)SCC[C@@H](CCCCC(N)=O)SC(=O)CCC(=O)O	standard non polar	2025-10-24	1909.95
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_3	C[Si](C)(C)NC(=O)CCCC[C@H](CCS)SC(=O)CCC(=O)O	standard non polar	2025-10-24	1907.14
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_4	C[Si](C)(C)OC(=O)CCC(=O)S[C@H](CCCCC(N)=O)CCS[Si](C)(C)C	standard non polar	2025-10-24	2043.99
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_5	C[Si](C)(C)NC(=O)CCCC[C@H](CCS)SC(=O)CCC(=O)O[Si](C)(C)C	standard non polar	2025-10-24	1878.88
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_6	C[Si](C)(C)NC(=O)CCCC[C@H](CCS[Si](C)(C)C)SC(=O)CCC(=O)O	standard non polar	2025-10-24	2143.45
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_7	C[Si](C)(C)N(C(=O)CCCC[C@H](CCS)SC(=O)CCC(=O)O)[Si](C)(C)C	standard non polar	2025-10-24	1269.43
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_8	C[Si](C)(C)NC(=O)CCCC[C@H](CCS[Si](C)(C)C)SC(=O)CCC(=O)O[Si](C)(C)C	standard non polar	2025-10-24	1562.12
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_9	C[Si](C)(C)OC(=O)CCC(=O)S[C@@H](CCS)CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	3028.28
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_10	C[Si](C)(C)SCC[C@@H](CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)SC(=O)CCC(=O)O	standard non polar	2025-10-24	1275.05
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_11	C[Si](C)(C)OC(=O)CCC(=O)S[C@H](CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)CCS[Si](C)(C)C	standard non polar	2025-10-24	1532.17
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_1	C[Si](C)(C)OC(=O)CCC(=O)S[C@@H](CCS)CCCCC(N)=O	standard polar	2025-10-24	2378.15
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_2	C[Si](C)(C)SCC[C@@H](CCCCC(N)=O)SC(=O)CCC(=O)O	standard polar	2025-10-24	1758.71
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_3	C[Si](C)(C)NC(=O)CCCC[C@H](CCS)SC(=O)CCC(=O)O	standard polar	2025-10-24	2546.71
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_4	C[Si](C)(C)OC(=O)CCC(=O)S[C@H](CCCCC(N)=O)CCS[Si](C)(C)C	standard polar	2025-10-24	2286.15
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_5	C[Si](C)(C)NC(=O)CCCC[C@H](CCS)SC(=O)CCC(=O)O[Si](C)(C)C	standard polar	2025-10-24	2125.21
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_6	C[Si](C)(C)NC(=O)CCCC[C@H](CCS[Si](C)(C)C)SC(=O)CCC(=O)O	standard polar	2025-10-24	2659.76
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_7	C[Si](C)(C)N(C(=O)CCCC[C@H](CCS)SC(=O)CCC(=O)O)[Si](C)(C)C	standard polar	2025-10-24	2216.19
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_8	C[Si](C)(C)NC(=O)CCCC[C@H](CCS[Si](C)(C)C)SC(=O)CCC(=O)O[Si](C)(C)C	standard polar	2025-10-24	2147.82
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_9	C[Si](C)(C)OC(=O)CCC(=O)S[C@@H](CCS)CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2499.51
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_10	C[Si](C)(C)SCC[C@@H](CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)SC(=O)CCC(=O)O	standard polar	2025-10-24	1502.76
Gas Chromatography	(S)-Succinyldihydrolipoamide_TMS_11	C[Si](C)(C)OC(=O)CCC(=O)S[C@H](CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)CCS[Si](C)(C)C	standard polar	2025-10-24	1470.57

Biological Properties

Cellular Locations

Not Available

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
MMDBp0192105	2-oxoglutarate dehydrogenase, mitochondrial	Enzyme	Q02218	Homo sapiens
MMDBp0192557	Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial	Enzyme	P36957	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Glycolysis and Pyruvate Dehydrogenase		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Acinetobacter sp. ADP1 Actinobacillus succinogenes 130Z Escherichia coli CFT073 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 Streptococcus pneumoniae Roseburia intestinalis L1-82 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Staphylococcus aureus Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium perfringens Clostridium sporogenes Rhodospirillum rubrum ATCC 11170 Streptococcus pneumoniae TIGR4 Aromatoleum aromaticum EbN1 Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Acidaminococcus fermentans DSM 20731 Acidaminococcus intestini RyC-MR95 Acinetobacter baumannii Akkermansia muciniphila ATCC BAA-835 Alistipes finegoldii DSM 17242 Anaerococcus prevotii DSM 20548 Anaerostipes caccae Anaerostipes hadrus Arcobacter butzleri RM4018 Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Alkalihalobacillus pseudofirmus OF4 Bacillus timonensis 10403023 Bacteroides caccae Bacteroides cellulosilyticus Bacteroides eggerthii Bacteroides fragilis Bacteroides fragilis 638R Bacteroides fragilis YCH46 Bacteroides thetaiotaomicron Bacteroides thetaiotaomicron VPI-5482 Bacteroides vulgatus Bacteroides xylanisolvens XB1A Blautia hansenii DSM 20583 Blautia obeum A2-162 Blautia obeum ATCC 29174 Brevibacillus brevis NBRC 100599 Clostridium beijerinckii NCIMB 8052 Clostridium botulinum Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Collinsella aerofaciens Coprococcus catus GD/7 Dorea formicigenerans ATCC 27755 Enterococcus faecalis Enterococcus hirae ATCC 9790 Eubacterium eligens ATCC 27750 Eubacterium rectale ATCC 33656 Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Geobacter metallireducens Haemophilus parainfluenzae T3T1 Lactobacillus paracasei Lactobacillus reuteri Megamonas hypermegale Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Odoribacter splanchnicus DSM 20712 Parabacteroides distasonis Parabacteroides distasonis ATCC 8503 Parabacteroides goldsteinii dnLKV18 Roseburia hominis A2-183 Streptococcus salivarius lactobacillus crispatus lactobacillus jensenii Pelobacter carbinolicus Spirochaeta thermophila Thermus thermophilus Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae 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 Fusobacterium gonidiaformans Fusobacterium periodonticum Fusobacterium ulcerans Desulfovibrio salexigens Acidithiobacillus ferrooxidans Cytophaga hutchinsonii Capnocytophaga sputigena Ruminococcus albus Staphylococcus epidermidis Deinococcus radiodurans Streptococcus oralis Streptococcus sanguinis Streptococcus mutans Streptococcus pyogenes Streptococcus dysgalactiae Streptococcus equinus Streptococcus equi Streptococcus uberis Enterococcus gallinarum Bacillus licheniformis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Moorella thermoacetica Clostridium kluyveri Clostridium novyi Weissella confusa Lactobacillus helveticus Lactobacillus plantarum Lactobacillus sakei Lactobacillus coryniformis Listeria monocytogenes Actinomyces viscosus Cellulomonas flavigena Corynebacterium diphtheriae Corynebacterium glutamicum Mycoplasma capricolum Desulfobacterium autotrophicum Thermotoga neapolitana Staphylococcus lugdunensis Neisseria subflava Staphylococcus saprophyticus Pelobacter propionicus Caldicellulosiruptor bescii Enterococcus avium Thiobacillus denitrificans Enterococcus casseliflavus Eubacterium eligens Eubacterium ramulus Eubacterium ventriosum Sulfurimonas denitrificans Veillonella atypica Veillonella dispar Stenotrophomonas maltophilia Leptotrichia buccalis Actinosynnema mirum Caldicellulosiruptor saccharolyticus Enterococcus cecorum Streptococcus cristatus Mitsuokella multacida Brachyspira pilosicoli Enterococcus durans Blautia hydrogenotrophica Desulfotomaculum reducens Burkholderia vietnamiensis Holdemania filiformis Sodalis glossinidius Streptococcus peroris Enterobacter cancerogenus Alloprevotella tannerae Streptococcus constellatus Bacillus clausii Bacillus pseudofirmus Bacillus selenitireducens Achromobacter xylosoxidans Burkholderia multivorans Dorea longicatena Burkholderia cenocepacia Actinomyces urogenitalis Methylibium petroleiphilum Pelotomaculum thermopropionicum Syntrophobacter fumaroxidans Citrobacter youngae Leuconostoc kimchii Streptococcus lutetiensis Burkholderia ambifaria Ilyobacter polytropus Marvinbryantia formatexigens Anaerotruncus colihominis Alicycliphilus denitrificans Methylocella silvestris Escherichia albertii Geobacter bemidjiensis Lactobacillus gastricus Lactobacillus antri Lactobacillus ultunensis Bacteroides nordii Bacteroides plebeius Geobacter lovleyi Streptococcus gallolyticus Bacteroides intestinalis Coprococcus comes Actinomyces oris Bacteroides fluxus Bacteroides oleiciplenus Bacteroides faecis Agrobacterium tumefaciens Alistipes finegoldii Alistipes shahii Bacteroides xylanisolvens Blautia hansenii Blautia obeum Clostridium beijerinckii Dorea formicigenerans Enterococcus faecium Enterococcus hirae Fusobacterium nucleatum Haemophilus parainfluenzae Klebsiella variicola Lactobacillus rhamnosus Lactococcus lactis Leuconostoc citreum Odoribacter splanchnicus Parabacteroides goldsteinii Streptococcus parasanguinis Streptococcus suis Streptococcus thermophiles Veillonella parvula Rothia dentocariosa Rothia mucilaginosa Granulicatella adiacens Actinomyces graevenitzii Achromobacter xylosoxidans A8 Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Agrobacterium tumefaciens str. C58 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Bradyrhizobium japonicum USDA 110 Capnocytophaga ochracea DSM 7271 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium sp. SY8519 Clostridium perfringens SM101 Corynebacterium aurimucosum ATCC 700975 Corynebacterium kroppenstedtii DSM 44385 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 Dyadobacter fermentans DSM 18053 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Haemophilus influenzae 86-028NP Haemophilus influenzae PittGG Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Kocuria rhizophila DC2201 Lactobacillus plantarum WCFS1 Lactobacillus acidophilus NCFM Lactobacillus sakei subsp. sakei 23K Lactobacillus casei ATCC 334 Lactobacillus helveticus DPC 4571 Lactobacillus reuteri SD2112 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris MG1363 Leptotrichia buccalis C-1013-b Lysinibacillus sphaericus C3-41 Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Micrococcus luteus NCTC 2665 Neisseria gonorrhoeae FA 1090 Neisseria meningitidis MC58 Neisseria meningitidis Z2491 Neisseria meningitidis FAM18 Neisseria gonorrhoeae NCCP11945 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 Pediococcus pentosaceus ATCC 25745 Propionibacterium freudenreichii subsp. shermanii CIRM-BIA1 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Rhodococcus erythropolis PR4 Rothia mucilaginosa DY-18 Rothia dentocariosa ATCC 17931 Ruminococcus albus 7 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Spirosoma linguale DSM 74 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus epidermidis RP62A Staphylococcus epidermidis ATCC 12228 Staphylococcus haemolyticus JCSC1435 Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 Staphylococcus aureus subsp. aureus NCTC 8325 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Streptococcus mutans UA159 Streptococcus thermophilus LMG 18311 Streptococcus pneumoniae D39 Streptococcus sanguinis SK36 Streptococcus gordonii str. Challis substr. CH1 Streptococcus pyogenes NZ131 Streptococcus uberis 0140J Streptococcus pneumoniae JJA Streptococcus equi subsp. equi 4047 Streptococcus oralis Uo5 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Bacteroides cellulosilyticus DSM 14838 Bacteroides eggerthii 1_2_48FAA Bacteroides fluxus YIT 12057 Bacteroides graminisolvens Bacteroides graminisolvens DSM 19988 = JCM 15093 Bacteroides intestinalis DSM 17393 Bacteroides nordii CL02T12C05 Bacteroides oleiciplenus YIT 12058 Bacteroides ovatus ATCC 8483 Bacteroides xylanisolvens SD CC 1b Bacteroides sp. 1_1_14 Bacteroides sp. 1_1_30 Bacteroides sp. 2_1_22 Bacteroides sp. 2_2_4 Bacteroides sp. D2 Bacteroides sp. D22 Butyricimonas virosa Odoribacter laneus YIT 12061 Alloprevotella tannerae ATCC 51259 Paraprevotella clara YIT 11840 Paraprevotella xylaniphila YIT 11841 Prevotella bivia DSM 20514 Prevotella buccae ATCC 33574 Alistipes indistinctus YIT 12060 Parabacteroides johnsonii DSM 18315 Parabacteroides sp. D13 Bacteroides dorei DSM 17855 Spirosoma linguale Chlorobium limicola Cetobacterium somerae ATCC BAA-474 Fusobacterium gonidiaformans 3-1-5R Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Fusobacterium periodonticum 1_1_41FAA Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Kingella oralis Kingella oralis ATCC 51147 Neisseria cinerea ATCC 14685 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Neisseria macacae Neisseria macacae ATCC 33926 Neisseria meningitidis Neisseria mucosa ATCC 25996 Neisseria subflava NJ9703 Nitrosospira multiformis Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Arcobacter butzleri Aeromonas caviae Aeromonas media Aeromonas veronii Succinatimonas hippei Succinatimonas hippei YIT 12066 Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Actinobacillus pleuropneumoniae Aggregatibacter aphrophilus Haemophilus haemolyticus Haemophilus sputorum Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Brachyspira pilosicoli B2904 Acetomicrobium hydrogeniformans Actinomyces graevenitzii C83 Actinomyces naeslundii Actinomyces naeslundii str. Howell 279 Actinomyces urogenitalis DSM 15434 Actinomyces viscosus C505 Trueperella pyogenes Corynebacterium amycolatum Corynebacterium aurimucosum Corynebacterium durum Corynebacterium durum F0235 Corynebacterium tuberculostearicum Corynebacterium tuberculostearicum SK141 Gordonia terrae C-6 Rhodococcus erythropolis Brevibacterium casei Brevibacterium casei S18 Brevibacterium linens Microbacterium oleivorans Kocuria palustris PEL Rothia aeria F0474 Cellulosimicrobium cellulans Propionibacterium Streptomyces avermitilis Thermomonospora curvata Olsenella profusa F0195 Collinsella tanakaei YIT 12063 Bacillus altitudinis Bacillus infantis NRRL B-14911 Bacillus firmus DS1 Lysinibacillus sphaericus Listeria grayi Listeria grayi DSM 20601 Listeria monocytogenes 10403S Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Paenibacillus lactis 154 Exiguobacterium aurantiacum Abiotrophia defectiva Abiotrophia defectiva ATCC 49176 Granulicatella adiacens ATCC 49175 Granulicatella elegans Granulicatella elegans ATCC 700633 Enterococcus asini ATCC 700915 Enterococcus caccae ATCC BAA-1240 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus dispar ATCC 51266 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus paracasei subsp. paracasei 8700:2 Lactobacillus rhamnosus LMS2-1 Lactobacillus ultunensis DSM 16047 Lactobacillus antri DSM 16041 Lactobacillus mucosae LM1 Lactobacillus reuteri CF48-3A Pediococcus acidilactici DSM 20284 Pediococcus pentosaceus Oenococcus oeni Lactococcus garvieae Streptococcus constellatus subsp. pharyngis SK1060 = CCUG 46377 Streptococcus australis ATCC 700641 Streptococcus equi subsp. zooepidemicus H70 Streptococcus equi subsp. zooepidemicus MGCS10565 Streptococcus equinus ATCC 9812 Streptococcus infantis ATCC 700779 Streptococcus lutetiensis 033 Streptococcus vestibularis F0396 Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 Anaerofustis stercorihominis Anaerofustis stercorihominis DSM 17244 Eubacterium ramulus ATCC 29099 Eubacterium ventriosum ATCC 27560 [Eubacterium] cellulosolvens 6 Anaerostipes caccae DSM 14662 Blautia hydrogenotrophica DSM 10507 Blautia wexlerae Coprococcus comes ATCC 27758 Dorea longicatena DSM 13814 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Clostridium] symbiosum WAL-14163 Lachnospira multipara [Ruminococcus] gnavus ATCC 29149 [Ruminococcus] lactaris ATCC 29176 [Ruminococcus] torques ATCC 27756 Oribacterium sinus F0268 Roseburia inulinivorans DSM 16841 Peptostreptococcus stomatis DSM 17678 Anaerotruncus colihominis DSM 17241 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Eggerthia catenaformis OT 569 = DSM 20559 [Clostridium] innocuum 2959 Clostridium spiroforme [Clostridium] spiroforme DSM 1552 Holdemania filiformis DSM 12042 Kandleria vitulina Kandleria vitulina DSM 20405 Acidaminococcus intestini Mitsuokella multacida DSM 20544 Megasphaera elsdenii Veillonella atypica ACS-049-V-Sch6 Veillonella dispar ATCC 17748 Anaerococcus hydrogenalis DSM 7454 Peptoniphilus harei ACS-146-V-Sch2b Peptoniphilus indolicus ATCC 29427 Streptomyces coelicolor A3(2) Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Corynebacterium glutamicum ATCC 13032 Clostridioides difficile 630 Clostridioides difficile NAP08 Bacillus cytotoxicus NVH 391-98 Lachnoclostridium phytofermentans ISDg Leuconostoc citreum KM20 Streptococcus parasanguinis ATCC 15912 Streptococcus parasanguinis FW213 Streptococcus pasteurianus ATCC 43144 Streptococcus suis GZ1 Acholeplasma laidlawii PG-8A Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Alkaliphilus oremlandii OhILAs Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Bacillus selenitireducens MLS10 Beutenbergia cavernae DSM 12333 Caldicellulosiruptor bescii DSM 6725 Carboxydothermus hydrogenoformans Z-2901 Catenulispora acidiphila DSM 44928 Cellulomonas flavigena DSM 20109 Clavibacter michiganensis subsp. michiganensis NCPPB 382 Clostridium tetani E88 Clostridium novyi NT Clostridium kluyveri DSM 555 Clostridium kluyveri NBRC 12016 Conexibacter woesei DSM 14684 Corynebacterium jeikeium K411 Corynebacterium glutamicum R Corynebacterium resistens DSM 45100 Deinococcus radiodurans R1 Deinococcus geothermalis DSM 11300 Deinococcus proteolyticus MRP Desulfotomaculum reducens MI-1 Exiguobacterium sibiricum 255-15 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Gordonia bronchialis DSM 43247 Intrasporangium calvum DSM 43043 Jonesia denitrificans DSM 20603 Kineococcus radiotolerans SRS30216 Kribbella flavida DSM 17836 Lactobacillus crispatus ST1 Leuconostoc kimchii IMSNU 11154 Listeria innocua Clip11262 Listeria welshimeri serovar 6b str. SLCC5334 Macrococcus caseolyticus JCSC5402 Meiothermus ruber DSM 1279 Mycobacterium leprae TN Mycobacterium bovis AF2122/97 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium bovis BCG str. Pasteur 1173P2 Mycobacterium tuberculosis H37Ra Mycobacterium abscessus ATCC 19977 Mycobacterium leprae Br4923 Mycobacterium sp. Spyr1 Mycobacterium sp. JDM601 Mycobacterium canettii CIPT 140010059 Nakamurella multipartita DSM 44233 Natranaerobius thermophilus JW/NM-WN-LF Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Corynebacterium diphtheriae NCTC 13129 Oceanobacillus iheyensis HTE831 Caldicellulosiruptor saccharolyticus DSM 8903 Dictyoglomus turgidum DSM 6724 Bacillus tusciae DSM 2912 Mycoplasma leachii PG50 Oenococcus oeni PSU-1 Pelotomaculum thermopropionicum SI Pseudonocardia dioxanivorans CB1190 Renibacterium salmoninarum ATCC 33209 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Rubrobacter xylanophilus DSM 9941 Saccharomonospora viridis DSM 43017 Sanguibacter keddieii DSM 10542 Sphaerobacter thermophilus DSM 20745 Stackebrandtia nassauensis DSM 44728 Staphylococcus carnosus subsp. carnosus TM300 Streptococcus equi subsp. zooepidemicus Streptococcus suis BM407 Streptococcus gallolyticus UCN34 Streptomyces scabiei 87.22 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Symbiobacterium thermophilum IAM 14863 Thermoanaerobacter sp. X514 Thermoanaerobacter pseudethanolicus ATCC 33223 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Thermobispora bispora DSM 43833 Thermomonospora curvata DSM 43183 Tsukamurella paurometabola DSM 20162 Xylanimonas cellulosilytica DSM 15894 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus parasiticus SU-1 Aspergillus phoenicis Aspergillus ruber Aspergillus sclerotioniger Aspergillus glaucus Aspergillus aculeatus ATCC 16872 Aspergillus leporis Aspergillus niger ATCC 1015 Aspergillus oryzae RIB40 Aspergillus terreus NIH2624 Aspergillus wentii Aspergillus clavatus NRRL 1 Aspergillus fischeri NRRL 181 Aspergillus fumigatus A1163 Aspergillus fumigatus Af293 Aspergillus calidoustus Aspergillus nidulans FGSC A4 Aspergillus taichungensis Aspergillus tamarii Aspergillus thermomutatus Aspergillus tubingensis Aspergillus violaceofuscus Aspergillus viridinutans Penicillium brasilianum Penicillium brevicompactum Penicillium canescens Penicillium chermesinum Penicillium citrinum Penicillium concentricum Penicillium daleae Penicillium griseofulvum Penicillium hordei Penicillium italicum Penicillium nalgiovense Penicillium oxalicum Penicillium polonicum Penicillium roqueforti FM164 Penicillium solitum Penicillium steckii Penicillium thymicola Penicillium vulpinum Verticillium alfalfae VaMs.102 Trichoderma arundinaceum Trichoderma asperellum Trichoderma atroviride IMI 206040 Trichoderma citrinoviride Trichoderma harzianum Trichoderma longibrachiatum Trichoderma parareesei Trichoderma reesei QM6a Trichoderma virens Trichoderma virens Gv29-8 Fusarium acutatum Fusarium fujikuroi IMI 58289 Fusarium mangiferae Fusarium nygamai Fusarium proliferatum ET1 Fusarium subglutinans Fusarium verticillioides 7600 Fusarium heterosporum Fusarium equiseti Fusarium oxysporum Fo5176 Fusarium oxysporum f. sp. lycopersici 4287 Fusarium austroamericanum Fusarium graminearum PH-1 Fusarium poae Fusarium pseudograminearum CS3096 Fusarium sporotrichioides Fusarium vanettenii Fusarium vanettenii 77-13-4 Fusarium tricinctum Paraburkholderia graminis C4D1M Schaalia cardiffensis F0333 Schaalia odontolytica ATCC 17982 Schaalia turicensis ACS-279-V-Col4 Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Acidipropionibacterium acidipropionici ATCC 4875 Cutibacterium granulosum DSM 20700 Anaerobutyricum hallii DSM 3353 Absiella dolichum DSM 3991 Holdemanella biformis DSM 3989 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Acaryochloris marina MBIC11017 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidithiobacillus ferrooxidans ATCC 23270 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 Anabaena variabilis ATCC 29413 Azotobacter vinelandii DJ Mannheimia succiniciproducens MBEL55E Bordetella petrii DSM 12804 Bordetella avium 197N Brachyspira hyodysenteriae WA1 Brachyspira murdochii DSM 12563 Brachyspira pilosicoli 95/1000 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 Blochmannia floridanus Candidatus Blochmannia pennsylvanicus str. BPEN Candidatus Hamiltonella defensa 5AT (Acyrthosiphon pisum) Candidatus Koribacter versatilis Ellin345 Capnocytophaga canimorsus Cc5 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Cellulophaga algicola DSM 14237 Clostridium lentocellum DSM 5427 Cellvibrio japonicus Ueda107 Chitinophaga pinensis DSM 2588 Chlorobium limicola DSM 245 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. ATCC 51142 Cyanothece sp. PCC 8801 Cyanothece sp. PCC 7424 Cytophaga hutchinsonii ATCC 33406 Deinococcus deserti VCD115 Desulfitobacterium hafniense Y51 Desulfitobacterium hafniense DCB-2 Desulfobacterium autotrophicum HRM2 Desulfovibrio salexigens DSM 2638 Dichelobacter nodosus VCS1703A Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Fervidobacterium nodosum Rt17-B1 Geobacter metallireducens GS-15 Geobacter uraniireducens Rf4 Geobacter lovleyi SZ Geobacter bemidjiensis Bem Geobacter sp. FRC-32 Geobacter sp. M18 Gloeobacter violaceus PCC 7421 Gramella forsetii KT0803 Haemophilus parasuis SH0165 Haemophilus influenzae F3047 Hahella chejuensis KCTC 2396 Halorhodospira halophila SL1 Halothermothrix orenii H 168 Halothiobacillus neapolitanus c2 Heliobacterium modesticaldum Ice1 Herpetosiphon aurantiacus DSM 785 Ilyobacter polytropus DSM 2926 Jannaschia sp. CCS1 Klebsiella pneumoniae 342 Kosmotoga olearia TBF 19.5.1 Leadbetterella byssophila DSM 17132 Leifsonia xyli subsp. xyli str. CTCB07 Leptospira borgpetersenii serovar Hardjo-bovis JB197 Leptothrix cholodnii SP-6 Magnetospirillum magneticum AMB-1 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Meiothermus silvanus DSM 9946 Methylibium petroleiphilum PM1 Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Methylobacterium extorquens AM1 Methylobacterium extorquens DM4 Microbacterium testaceum StLB037 Microcystis aeruginosa NIES-843 Mycoplasma mycoides subsp. mycoides SC str. PG1 Mycoplasma synoviae 53 Mycoplasma capricolum subsp. capricolum ATCC 27343 Nautilia profundicola AmH Neisseria meningitidis alpha14 Neisseria lactamica 020-06 Nitratiruptor sp. SB155-2 Nitrobacter hamburgensis X14 Nitrosococcus oceani ATCC 19707 Nitrosococcus halophilus Nc4 Nitrosomonas eutropha C91 Nitrosospira multiformis ATCC 25196 Nostoc sp. PCC 7120 Nostoc punctiforme PCC 73102 Bordetella bronchiseptica RB50 Geobacter sulfurreducens PCA Haemophilus ducreyi 35000HP Xanthomonas axonopodis pv. citri str. 306 Nitrosomonas europaea ATCC 19718 Chromobacterium violaceum ATCC 12472 Thermus thermophilus HB27 Sodalis glossinidius str. 'morsitans' Synechococcus sp. JA-2-3B'a(2-13) Magnetococcus sp. MC-1 Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Dictyoglomus thermophilum H-6-12 Gemmatimonas aurantiaca T-27 Thermanaerovibrio acidaminovorans DSM 6589 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 atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Pedobacter heparinus DSM 2366 Pelobacter carbinolicus DSM 2380 Pelobacter propionicus DSM 2379 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Pseudomonas fulva 12-X Psychrobacter arcticus 273-4 Psychrobacter cryohalolentis K5 Psychromonas ingrahamii 37 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 Roseiflexus sp. RS-1 Roseiflexus castenholzii DSM 13941 Ruegeria sp. TM1040 Saccharophagus degradans 2-40 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Segniliparus rotundus DSM 44985 Shewanella amazonensis SB2B Shewanella sediminis HAW-EB3 Shewanella halifaxensis HAW-EB4 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Spirochaeta thermophila DSM 6192 Sulfurimonas denitrificans DSM 1251 Sulfurimonas autotrophica DSM 16294 Sulfurovum sp. NBC37-1 Synechococcus sp. JA-3-3Ab Synechococcus sp. PCC 7002 Syntrophobacter fumaroxidans MPOB Taylorella equigenitalis MCE9 Teredinibacter turnerae T7901 Thermomicrobium roseum DSM 5159 Thermosipho melanesiensis BI429 Thermotoga petrophila RKU-1 Thermotoga sp. RQ2 Thermotoga neapolitana DSM 4359 Thioalkalivibrio sp. K90mix Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xanthobacter autotrophicus Py2 Xenorhabdus bovienii SS-2004 Xenorhabdus nematophila ATCC 19061 Zunongwangia profunda SM-A87 Sphingobacterium paucimobilis HER1398 Neisseria meningitidis serogroup C Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Hungatella hathewayi DSM 13479 Veillonella seminalis ACS-216-V-Col6b Veillonella sp. 6_1_27

Metabolic Reactions

Reactions

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

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018857	Dihydrolipoamide	(S)-Succinyldihydrolipoamide	Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex	Dehydrogenation	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	1	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	147	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	49	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	66	Human feces; Human ; Human subgingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	8	Human feces; Human ; Human supragingival plaque; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

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

HMDB0001177

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022467

KNApSAcK ID

Not Available

Chemspider ID

388536

KEGG Compound ID

C01169

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6058

PubChem Compound

439425

PDB ID

Not Available

ChEBI ID

17432

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 ]

Showing metabocard for (S)-Succinyldihydrolipoamide (MMDBc0031895)

MOL for #<Metabolite:0x00007f2e50ab70e0>

3D MOL for #<Metabolite:0x00007f2e50ab70e0>

3D SDF for #<Metabolite:0x00007f2e50ab70e0>

3D-SDF for #<Metabolite:0x00007f2e50ab70e0>

PDB for #<Metabolite:0x00007f2e50ab70e0>

3D PDB for #<Metabolite:0x00007f2e50ab70e0>

SMILES for #<Metabolite:0x00007f2e50ab70e0>

INCHI for #<Metabolite:0x00007f2e50ab70e0>

Structure for #<Metabolite:0x00007f2e50ab70e0>

3D Structure for #<Metabolite:0x00007f2e50ab70e0>