EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162187 - Pro-Cys-Gln

ChEBI IDCHEBI:162187
ChEBI NamePro-Cys-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O5S
Net Charge0
Average Mass346.409
Monoisotopic Mass346.13109
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C13H22N4O5S/c14-10(18)4-3-8(13(21)22)16-12(20)9(6-23)17-11(19)7-2-1-5-15-7/h7-9,15,23H,1-6H2,(H2,14,18)(H,16,20)(H,17,19)(H,21,22)/t7-,8-,9-/m0/s1
InChIKeyDIZLUAZLNDFDPR-CIUDSAMLSA-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-Cys-Gln (CHEBI:162187) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-5-oxo-2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulanylpropanoyl]amino]pentanoic acid