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CHEBI:162142 - Pro-Asp-Asn

Default Structure
ChEBI IDCHEBI:162142
ChEBI NamePro-Asp-Asn
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](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C13H20N4O7/c14-9(18)4-8(13(23)24)17-12(22)7(5-10(19)20)16-11(21)6-2-1-3-15-6/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
InChIKeyCJZTUKSFZUSNCC-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-Asn (CHEBI:162142) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-3-carboxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-oxobutanoic acid
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