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CHEBI:162130 - Pro-Asn-Thr

ChEBI IDCHEBI:162130
ChEBI NamePro-Asn-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O6
Net Charge0
Average Mass330.341
Monoisotopic Mass330.15393
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C13H22N4O6/c1-6(18)10(13(22)23)17-12(21)8(5-9(14)19)16-11(20)7-3-2-4-15-7/h6-8,10,15,18H,2-5H2,1H3,(H2,14,19)(H,16,20)(H,17,21)(H,22,23)/t6-,7+,8+,10+/m1/s1
InChIKeySWXSLPHTJVAWDF-VEVYYDQMSA-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-Thr (CHEBI:162130) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-hydroxybutanoic acid