EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159612 - Asn-Asp-Ile

ChEBI IDCHEBI:159612
ChEBI NameAsn-Asp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24N4O7
Net Charge0
Average Mass360.367
Monoisotopic Mass360.16450
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C14H24N4O7/c1-3-6(2)11(14(24)25)18-13(23)8(5-10(20)21)17-12(22)7(15)4-9(16)19/h6-8,11H,3-5,15H2,1-2H3,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t6-,7-,8-,11-/m0/s1
InChIKeyZWASIOHRQWRWAS-UGYAYLCHSA-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)
Asn-Asp-Ile (CHEBI:159612) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoic acid