EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160843 - Met-Ile-Val

ChEBI IDCHEBI:160843
ChEBI NameMet-Ile-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N3O4S
Net Charge0
Average Mass361.508
Monoisotopic Mass361.20353
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C16H31N3O4S/c1-6-10(4)13(19-14(20)11(17)7-8-24-5)15(21)18-12(9(2)3)16(22)23/h9-13H,6-8,17H2,1-5H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11-,12-,13-/m0/s1
InChIKeyODFBIJXEWPWSAN-CYDGBPFRSA-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)
Met-Ile-Val (CHEBI:160843) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid