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CHEBI:158416 - Ile-Gly-Asp

ChEBI IDCHEBI:158416
ChEBI NameIle-Gly-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6
Net Charge0
Average Mass303.315
Monoisotopic Mass303.14304
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-3-6(2)10(13)11(19)14-5-8(16)15-7(12(20)21)4-9(17)18/h6-7,10H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-,10-/m0/s1
InChIKeyKFVUBLZRFSVDGO-BYULHYEWSA-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-Gly-Asp (CHEBI:158416) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]amino]butanedioic acid
Manual XrefsDatabases
8347297ChemSpider