Marvin  01110611002D          

  7  6  0  0  0  0            999 V2000
    0.6124    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1021   -0.1768    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8165    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1021   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -0.1768    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
M  END
> <ID>
CHEBI:15356

> <NAME>
cysteine

> <DEFINITION>
A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:23508; CHEBI:4050; CHEBI:14061

> <SYNONYM>
Zystein; Hcys; cysteine; Cysteine; Cystein; Cys; cisteina; C; 2-amino-3-sulfanylpropanoic acid; 2-Amino-3-mercaptopropionic acid; 2-amino-3-mercaptopropanoic acid

> <IUPAC_NAME>
cysteine

> <FORMULA>
C3H7NO2S

> <MASS>
121.15922

> <MONOISOTOPIC_MASS>
121.01975

> <CHARGE>
0

> <SMILES>
NC(CS)C(O)=O

> <INCHI>
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)

> <INCHIKEY>
XUJNEKJLAYXESH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721406

> <CAS_REGISTRY_NUMBER>
3374-22-9

> <GMELIN_REGISTRY_NUMBER>
2933

> <REAXYS_REGISTRY_NUMBER>
1721406

> <CHEMIDPLUS>
3374-22-9

> <KEGG_COMPOUND_ACCESSION>
C00736

> <KNAPSACK_ACCESSION>
C00007323

> <NIST_CHEMISTRY_WEBBOOK>
3374-22-9

> <WIKIPEDIA_ACCESSION>
Cysteine

> <PUBMED_CITATION>
17439666; 25181601

$$$$