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CHEBI:158278 - Ile-Asp-Ser

Default Structure
ChEBI IDCHEBI:158278
ChEBI NameIle-Asp-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O7
Net Charge0
Average Mass333.341
Monoisotopic Mass333.15360
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C13H23N3O7/c1-3-6(2)10(14)12(21)15-7(4-9(18)19)11(20)16-8(5-17)13(22)23/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t6-,7-,8-,10-/m0/s1
InChIKeyDCQMJRSOGCYKTR-GHCJXIJMSA-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-Ser (CHEBI:158278) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
9338488ChemSpider