CYSTINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 48TCX9A1VT

Structure
InChI Key LEVWYRKDKASIDU-IMJSIDKUSA-N
Smile 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

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12N2O4S2
Molecular Weight 240.31
AlogP -0.81
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 126.64
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 14.0

Cross References

Resources Reference
ChEBI 35491
ChEMBL CHEMBL590540
DrugBank DB00138
DrugCentral 4130
EPA CompTox DTXSID2046418
FDA SRS 48TCX9A1VT
Human Metabolome Database HMDB0000192
Guide to Pharmacology 5413
KEGG C00491
PharmGKB PA449176
PubChem 67678
SureChEMBL SCHEMBL10226
ZINC ZINC000001532673
CONTENTS