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CHEBI:162104 - Pro-Asn-Asp

Default Structure
ChEBI IDCHEBI:162104
ChEBI NamePro-Asn-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N4O7
Net Charge0
Average Mass344.324
Monoisotopic Mass344.13320
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H20N4O7/c14-9(18)4-7(16-11(21)6-2-1-3-15-6)12(22)17-8(13(23)24)5-10(19)20/h6-8,15H,1-5H2,(H2,14,18)(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeySMCHPSMKAFIERP-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-Asn-Asp (CHEBI:162104) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanedioic acid