EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:162146 - Pro-Asp-Cys

Default Structure
ChEBI IDCHEBI:162146
ChEBI NamePro-Asp-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O6S
Net Charge0
Average Mass333.366
Monoisotopic Mass333.09946
SMILESO=C(O)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C12H19N3O6S/c16-9(17)4-7(11(19)15-8(5-22)12(20)21)14-10(18)6-2-1-3-13-6/h6-8,13,22H,1-5H2,(H,14,18)(H,15,19)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyNGNNPLJHUFCOMZ-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-Cys (CHEBI:162146) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1R)-1-carboxy-2-sulanylethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid