Marvin  04240621342D          

 14 13  0  0  1  0            999 V2000
    2.5076    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.2350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5076    1.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3642   -0.2350    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0787    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2221   -0.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937   -0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    0.1775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4937   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    1.0025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503    0.1775    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648   -0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2082    0.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  1  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  1  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 14  8  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
> <ID>
CHEBI:16283

> <NAME>
L-cystine

> <DEFINITION>
The L-enantiomer of the sulfur-containing amino acid cystine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6209; CHEBI:13097; CHEBI:21278

> <SYNONYM>
oxidized L-cysteine; L-Dicysteine; L-Cystine; L-alpha-Diamino-beta-dithiolactic acid; E921; bis(beta-amino-beta-carboxyethyl) disulfide; beta,beta'-dithiodialanine; beta,beta'-diamino-beta,beta'-dicarboxydiethyl disulfide; 3,3'-Dithiobis-L-alanine; (R-(R*,R*))-3,3'-Dithiobis(2-aminopropanoic acid); (R,R)-3,3'-dithiobis(2-aminopropanoic acid)

> <IUPAC_NAME>
L-cystine; (2R,2'R)-3,3'-disulfanediylbis(2-aminopropanoic acid)

> <FORMULA>
C6H12N2O4S2

> <MASS>
240.30256

> <MONOISOTOPIC_MASS>
240.02385

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1

> <INCHIKEY>
LEVWYRKDKASIDU-IMJSIDKUSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1728094

> <CAS_REGISTRY_NUMBER>
56-89-3

> <GMELIN_REGISTRY_NUMBER>
397179

> <REAXYS_REGISTRY_NUMBER>
1728094

> <CHEMIDPLUS>
56-89-3

> <DRUGBANK_ACCESSION>
DB00138

> <KEGG_COMPOUND_ACCESSION>
C00491

> <KEGG_DRUG_ACCESSION>
D03636

> <KNAPSACK_ACCESSION>
C00001352

> <NIST_CHEMISTRY_WEBBOOK>
56-89-3

> <PUBMED_CITATION>
14726201; 24264736; 24327171

$$$$