EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158734 - Ile-Ser-Asp

ChEBI IDCHEBI:158734
ChEBI NameIle-Ser-Asp
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](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H23N3O7/c1-3-6(2)10(14)12(21)16-8(5-17)11(20)15-7(13(22)23)4-9(18)19/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t6-,7-,8-,10-/m0/s1
InChIKeyJZNVOBUNTWNZPW-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-Ser-Asp (CHEBI:158734) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid