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CHEBI:161221 - Met-Val-Ile

ChEBI IDCHEBI:161221
ChEBI NameMet-Val-Ile
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](NC(=O)[C@@H](N)CCSC)C(C)C)C(=O)O
InChIInChI=1S/C16H31N3O4S/c1-6-10(4)13(16(22)23)19-15(21)12(9(2)3)18-14(20)11(17)7-8-24-5/h9-13H,6-8,17H2,1-5H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11-,12-,13-/m0/s1
InChIKeyKPVLLNDCBYXKNV-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-Val-Ile (CHEBI:161221) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid