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CHEBI:162026 - Pro-Ala-Asp

ChEBI IDCHEBI:162026
ChEBI NamePro-Ala-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O6
Net Charge0
Average Mass301.299
Monoisotopic Mass301.12739
SMILESC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O6/c1-6(14-11(19)7-3-2-4-13-7)10(18)15-8(12(20)21)5-9(16)17/h6-8,13H,2-5H2,1H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyAPKRGYLBSCWJJP-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-Ala-Asp (CHEBI:162026) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanedioic acid