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CHEBI:160042 - Asn-Pro-Asp

ChEBI IDCHEBI:160042
ChEBI NameAsn-Pro-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N4O7
Net Charge0
Average Mass344.324
Monoisotopic Mass344.13320
SMILESNC(=O)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H20N4O7/c14-6(4-9(15)18)12(22)17-3-1-2-8(17)11(21)16-7(13(23)24)5-10(19)20/h6-8H,1-5,14H2,(H2,15,18)(H,16,21)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyYRTOMUMWSTUQAX-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)
Asn-Pro-Asp (CHEBI:160042) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid