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CHEBI:160886 - Asp-Ser-Ile

Default Structure
ChEBI IDCHEBI:160886
ChEBI NameAsp-Ser-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O7
Net Charge0
Average Mass333.341
Monoisotopic Mass333.15360
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C13H23N3O7/c1-3-6(2)10(13(22)23)16-12(21)8(5-17)15-11(20)7(14)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
InChIKeyDRCOAZZDQRCGGP-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)
Asp-Ser-Ile (CHEBI:160886) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid