EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158262 - Ile-Asp-Gly

ChEBI IDCHEBI:158262
ChEBI NameIle-Asp-Gly
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)N[C@@H](CC(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C12H21N3O6/c1-3-6(2)10(13)12(21)15-7(4-8(16)17)11(20)14-5-9(18)19/h6-7,10H,3-5,13H2,1-2H3,(H,14,20)(H,15,21)(H,16,17)(H,18,19)/t6-,7-,10-/m0/s1
InChIKeyNKRJALPCDNXULF-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-Asp-Gly (CHEBI:158262) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
Manual XrefsDatabases
57488856ChemSpider