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CHEBI:158238 - Ile-Asn-Ser

ChEBI IDCHEBI:158238
ChEBI NameIle-Asn-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N4O6
Net Charge0
Average Mass332.357
Monoisotopic Mass332.16958
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C13H24N4O6/c1-3-6(2)10(15)12(21)16-7(4-9(14)19)11(20)17-8(5-18)13(22)23/h6-8,10,18H,3-5,15H2,1-2H3,(H2,14,19)(H,16,21)(H,17,20)(H,22,23)/t6-,7-,8-,10-/m0/s1
InChIKeyHDODQNPMSHDXJT-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-Asn-Ser (CHEBI:158238) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid
Manual XrefsDatabases
9568317ChemSpider