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CHEBI:158254 - Ile-Asp-Asp

ChEBI IDCHEBI:158254
ChEBI NameIle-Asp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23N3O8
Net Charge0
Average Mass361.351
Monoisotopic Mass361.14851
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C14H23N3O8/c1-3-6(2)11(15)13(23)16-7(4-9(18)19)12(22)17-8(14(24)25)5-10(20)21/h6-8,11H,3-5,15H2,1-2H3,(H,16,23)(H,17,22)(H,18,19)(H,20,21)(H,24,25)/t6-,7-,8-,11-/m0/s1
InChIKeyHVWXAQVMRBKKFE-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-Asp (CHEBI:158254) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid