EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162816 - Glu-Cys-His

ChEBI IDCHEBI:162816
ChEBI NameGlu-Cys-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H21N5O6S
Net Charge0
Average Mass387.418
Monoisotopic Mass387.12125
SMILESN[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C14H21N5O6S/c15-8(1-2-11(20)21)12(22)19-10(5-26)13(23)18-9(14(24)25)3-7-4-16-6-17-7/h4,6,8-10,26H,1-3,5,15H2,(H,16,17)(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t8-,9-,10-/m0/s1
InChIKeyPNAOVYHADQRJQU-GUBZILKMSA-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-His (CHEBI:162816) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-amino-5-[[(2R)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
90637310ChemSpider