EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160858 - Asp-Pro-Ser

Default Structure
ChEBI IDCHEBI:160858
ChEBI NameAsp-Pro-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O7
Net Charge0
Average Mass317.298
Monoisotopic Mass317.12230
SMILESN[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H19N3O7/c13-6(4-9(17)18)11(20)15-3-1-2-8(15)10(19)14-7(5-16)12(21)22/h6-8,16H,1-5,13H2,(H,14,19)(H,17,18)(H,21,22)/t6-,7-,8-/m0/s1
InChIKeyFAUPLTGRUBTXNU-FXQIFTODSA-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-Pro-Ser (CHEBI:160858) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[(2S)-2-[[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid