EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166217 - Val-His-Cys

ChEBI IDCHEBI:166217
ChEBI NameVal-His-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23N5O4S
Net Charge0
Average Mass357.436
Monoisotopic Mass357.14708
SMILESCC(C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C14H23N5O4S/c1-7(2)11(15)13(21)18-9(3-8-4-16-6-17-8)12(20)19-10(5-24)14(22)23/h4,6-7,9-11,24H,3,5,15H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)(H,22,23)/t9-,10-,11-/m0/s1
InChIKeyMANXHLOVEUHVFD-DCAQKATOSA-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)
Val-His-Cys (CHEBI:166217) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulanylpropanoic acid