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CHEBI:160860 - Asp-Pro-Thr

ChEBI IDCHEBI:160860
ChEBI NameAsp-Pro-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O7
Net Charge0
Average Mass331.325
Monoisotopic Mass331.13795
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O7/c1-6(17)10(13(22)23)15-11(20)8-3-2-4-16(8)12(21)7(14)5-9(18)19/h6-8,10,17H,2-5,14H2,1H3,(H,15,20)(H,18,19)(H,22,23)/t6-,7+,8+,10+/m1/s1
InChIKeyRVMXMLSYBTXCAV-VEVYYDQMSA-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-Thr (CHEBI:160860) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[(2S)-2-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid