EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158901 - Ile-Val-Glu

ChEBI IDCHEBI:158901
ChEBI NameIle-Val-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H29N3O6
Net Charge0
Average Mass359.423
Monoisotopic Mass359.20564
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C
InChIInChI=1S/C16H29N3O6/c1-5-9(4)12(17)14(22)19-13(8(2)3)15(23)18-10(16(24)25)6-7-11(20)21/h8-10,12-13H,5-7,17H2,1-4H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,12-,13-/m0/s1
InChIKeyYWCJXQKATPNPOE-UKJIMTQDSA-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-Glu (CHEBI:158901) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]pentanedioic acid