EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166237 - Val-Ile-Cys

ChEBI IDCHEBI:166237
ChEBI NameVal-Ile-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O4S
Net Charge0
Average Mass333.454
Monoisotopic Mass333.17223
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C14H27N3O4S/c1-5-8(4)11(17-12(18)10(15)7(2)3)13(19)16-9(6-22)14(20)21/h7-11,22H,5-6,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyPYPZMFDMCCWNST-NAKRPEOUSA-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-Ile-Cys (CHEBI:166237) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-sulanylpropanoic acid