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CHEBI:158913 - Ile-Val-Met

ChEBI IDCHEBI:158913
ChEBI NameIle-Val-Met
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N3O4S
Net Charge0
Average Mass361.508
Monoisotopic Mass361.20353
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)O)C(C)C
InChIInChI=1S/C16H31N3O4S/c1-6-10(4)12(17)14(20)19-13(9(2)3)15(21)18-11(16(22)23)7-8-24-5/h9-13H,6-8,17H2,1-5H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11-,12-,13-/m0/s1
InChIKeyZSESFIFAYQEKRD-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)
Ile-Val-Met (CHEBI:158913) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulanylbutanoic acid