Ketcher 09231909532D 1   1.00000     0.00000     0

 15 14  0     1  0            999 V2000
    8.5621  -16.0338    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5696  -14.0338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375  -14.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0980  -16.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9696  -14.5240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979  -15.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300  -16.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017  -14.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9659  -15.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4300  -15.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2941  -16.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2904  -17.0401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620  -15.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0261  -16.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1657  -14.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0     0  0
  2  8  1  0     0  0
  3  8  2  0     0  0
  4  9  1  0     0  0
  5  9  2  0     0  0
  6  7  1  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
  1 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  1     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
M  END
> <ID>
CHEBI:144907

> <NAME>
S-(2-succinyl)-L-cysteine

> <DEFINITION>
An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a 1,2-dicarboxyethyl group. It is a chemical modification which occurs in tissue proteins and formed by a Michael addition of cysteine to fumaric acid.

> <STAR>
3

> <SYNONYM>
S-(2-succino)-L-cysteine; S-(1,2-dicarboxyethyl)-L-cysteine; [[(2R)-2-amino-2-carboxyethyl]thio]succinic acid; 2-[[(2R)-2-amino-2-carboxyethyl]thio]butanedioic acid

> <IUPAC_NAME>
2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid

> <FORMULA>
C7H11NO6S

> <MASS>
237.230

> <MONOISOTOPIC_MASS>
237.03071

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4?/m0/s1

> <INCHIKEY>
XPKKFTKCRVIDAG-WUCPZUCCSA-N

> <CAS_REGISTRY_NUMBER>
547764-73-8

> <REAXYS_REGISTRY_NUMBER>
1729068

> <PUBMED_CITATION>
16624247; 17934141; 22134201; 2404763; 6547471

$$$$