EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162806 - Glu-Cys-Asn

ChEBI IDCHEBI:162806
ChEBI NameGlu-Cys-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O7S
Net Charge0
Average Mass364.380
Monoisotopic Mass364.10527
SMILESNC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20N4O7S/c13-5(1-2-9(18)19)10(20)16-7(4-24)11(21)15-6(12(22)23)3-8(14)17/h5-7,24H,1-4,13H2,(H2,14,17)(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyKLJMRPIBBLTDGE-ACZMJKKPSA-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)
Glu-Cys-Asn (CHEBI:162806) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-amino-5-[[(2R)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
8369281ChemSpider