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CHEBI:162106 - Pro-Asn-Cys

ChEBI IDCHEBI:162106
ChEBI NamePro-Asn-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O5S
Net Charge0
Average Mass332.382
Monoisotopic Mass332.11544
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C12H20N4O5S/c13-9(17)4-7(11(19)16-8(5-22)12(20)21)15-10(18)6-2-1-3-14-6/h6-8,14,22H,1-5H2,(H2,13,17)(H,15,18)(H,16,19)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyWECYCNFPGZLOOU-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-Cys (CHEBI:162106) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-sulanylpropanoic acid