EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158488 - Ile-His-Val

ChEBI IDCHEBI:158488
ChEBI NameIle-His-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H29N5O4
Net Charge0
Average Mass367.450
Monoisotopic Mass367.22195
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C17H29N5O4/c1-5-10(4)13(18)16(24)21-12(6-11-7-19-8-20-11)15(23)22-14(9(2)3)17(25)26/h7-10,12-14H,5-6,18H2,1-4H3,(H,19,20)(H,21,24)(H,22,23)(H,25,26)/t10-,12-,13-,14-/m0/s1
InChIKeyAPDIECQNNDGFPD-PYJNHQTQSA-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-His-Val (CHEBI:158488) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoic acid