EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:161577 - Cys-Met-Val

ChEBI IDCHEBI:161577
ChEBI NameCys-Met-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N3O4S2
Net Charge0
Average Mass351.494
Monoisotopic Mass351.12865
SMILESCSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C13H25N3O4S2/c1-7(2)10(13(19)20)16-12(18)9(4-5-22-3)15-11(17)8(14)6-21/h7-10,21H,4-6,14H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1
InChIKeyRWVBNRYBHAGYSG-GUBZILKMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cys-Met-Val (CHEBI:161577) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-methylbutanoic acid