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CHEBI:161624 - Cys-Pro-Asn

ChEBI IDCHEBI:161624
ChEBI NameCys-Pro-Asn
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O5S
Net Charge0
Average Mass332.382
Monoisotopic Mass332.11544
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C12H20N4O5S/c13-6(5-22)11(19)16-3-1-2-8(16)10(18)15-7(12(20)21)4-9(14)17/h6-8,22H,1-5,13H2,(H2,14,17)(H,15,18)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyCAXGCBSRJLADPD-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)
Cys-Pro-Asn (CHEBI:161624) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-1-[(2R)-2-amino-3-sulanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid