CHEBI:27704 - S-hexylglutathione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-hexylglutathione
ChEBI ID CHEBI:27704
ChEBI ASCII Name S-hexylglutathione
Definition An S-substituted glutathione that is glutathione in which the hydrogen of the thiol has been replaced by a hexyl group (PDB entry: 1PN9).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43014, CHEBI:22051, CHEBI:8960
Supplier Information
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Formula C16H29N3O6S
Net Charge 0
Average Mass 391.48408
Monoisotopic Mass 391.17771
InChI InChI=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
InChIKey HXJDWCWJDCOHDG-RYUDHWBXSA-N
SMILES CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
ChEBI Ontology
Outgoing S-hexylglutathione (CHEBI:27704) is a S-substituted glutathione (CHEBI:17021)
IUPAC Name
L-γ-glutamyl-S-hexyl-L-cysteinylglycine
Synonyms Sources
Hexylglutathione ChemIDplus
S-Hexyl-glutathione KEGG COMPOUND
S-Hexyl-L-glutathione KEGG COMPOUND
Manual Xrefs Databases
C02886 KEGG COMPOUND
DB04132 DrugBank
GTX PDBeChem
View more database links
Registry Numbers Types Sources
24425-56-7 CAS Registry Number KEGG COMPOUND
24425-56-7 CAS Registry Number ChemIDplus
5629635 Beilstein Registry Number Beilstein
Last Modified
20 September 2019