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CHEBI:162128 - Pro-Asn-Ser

Default Structure
ChEBI IDCHEBI:162128
ChEBI NamePro-Asn-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O6
Net Charge0
Average Mass316.314
Monoisotopic Mass316.13828
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H20N4O6/c13-9(18)4-7(11(20)16-8(5-17)12(21)22)15-10(19)6-2-1-3-14-6/h6-8,14,17H,1-5H2,(H2,13,18)(H,15,19)(H,16,20)(H,21,22)/t6-,7-,8-/m0/s1
InChIKeyFUVBEZJCRMHWEM-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-Ser (CHEBI:162128) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-hydroxypropanoic acid