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CHEBI:27704 - S-hexylglutathione

ChEBI IDCHEBI:27704
ChEBI NameS-hexylglutathione
Stars
ASCII NameS-hexylglutathione
DefinitionAn S-substituted glutathione that is glutathione in which the hydrogen of the thiol has been replaced by a hexyl group (PDB entry: 1PN9).
Secondary ChEBI IDsCHEBI:8960, CHEBI:22051, CHEBI:43014
Last Modified20 September 2019
DownloadsMolfile
FormulaC16H29N3O6S
Net Charge0
Average Mass391.490
Monoisotopic Mass391.17771
SMILESCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1
InChIKeyHXJDWCWJDCOHDG-RYUDHWBXSA-N
ChEBI Ontology
Outgoing Relation(s)
S-hexylglutathione (CHEBI:27704) is a S-substituted glutathione (CHEBI:17021)
IUPAC Name 
L-γ-glutamyl-S-hexyl-L-cysteinylglycine
Synonyms  Source
S-Hexyl-glutathioneKEGG COMPOUND
S-Hexyl-L-glutathioneKEGG COMPOUND
HexylglutathioneChemIDplus
Manual XrefsDatabases
C02886KEGG COMPOUND
GTXPDBeChem
DB04132DrugBank
Registry NumbersSources
Beilstein:5629635Beilstein
CAS:24425-56-7KEGG COMPOUND
CAS:24425-56-7ChemIDplus