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CHEBI:166441 - Val-Val-Ile

Default Structure
ChEBI IDCHEBI:166441
ChEBI NameVal-Val-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N3O4
Net Charge0
Average Mass329.441
Monoisotopic Mass329.23146
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)O
InChIInChI=1S/C16H31N3O4/c1-7-10(6)13(16(22)23)19-15(21)12(9(4)5)18-14(20)11(17)8(2)3/h8-13H,7,17H2,1-6H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11-,12-,13-/m0/s1
InChIKeyWBPFYNYTYASCQP-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)
Val-Val-Ile (CHEBI:166441) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid