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CHEBI:158252 - Ile-Asp-Asn

ChEBI IDCHEBI:158252
ChEBI NameIle-Asp-Asn
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24N4O7
Net Charge0
Average Mass360.367
Monoisotopic Mass360.16450
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C14H24N4O7/c1-3-6(2)11(16)13(23)17-7(5-10(20)21)12(22)18-8(14(24)25)4-9(15)19/h6-8,11H,3-5,16H2,1-2H3,(H2,15,19)(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t6-,7-,8-,11-/m0/s1
InChIKeyNBJAAWYRLGCJOF-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)
Ile-Asp-Asn (CHEBI:158252) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoic acid