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CHEBI:162144 - Pro-Asp-Asp

Default Structure
ChEBI IDCHEBI:162144
ChEBI NamePro-Asp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19N3O8
Net Charge0
Average Mass345.308
Monoisotopic Mass345.11721
SMILESO=C(O)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C13H19N3O8/c17-9(18)4-7(15-11(21)6-2-1-3-14-6)12(22)16-8(13(23)24)5-10(19)20/h6-8,14H,1-5H2,(H,15,21)(H,16,22)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyILMLVTGTUJPQFP-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)
Pro-Asp-Asp (CHEBI:162144) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanedioic acid