EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:136771 - S-(6-methylthiohexylhydroximoyl)glutathione

ChEBI IDCHEBI:136771
ChEBI NameS-(6-methylthiohexylhydroximoyl)glutathione
Stars
ASCII NameS-(6-methylthiohexylhydroximoyl)glutathione
DefinitionAn S-substituted glutathione in which the thiol hydrogen of glutathoine has been replaced by a 6-methylthiohexylhydroximoyl group.
Last Modified5 March 2020
Submittermwilliams
DownloadsMolfile
FormulaC17H30N4O7S2
Net Charge0
Average Mass466.582
Monoisotopic Mass466.15559
SMILESCSCCCCCC(=NO)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C17H30N4O7S2/c1-29-8-4-2-3-5-14(21-28)30-10-12(16(25)19-9-15(23)24)20-13(22)7-6-11(18)17(26)27/h11-12,28H,2-10,18H2,1H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t11-,12-/m0/s1
InChIKeyQUHKCUMRZNSHRI-RYUDHWBXSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- PubMed (27500669)
- MetaboLights (MTBLS312)
Roles Classification
Biological Role:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
ChEBI Ontology
Outgoing Relation(s)
S-(6-methylthiohexylhydroximoyl)glutathione (CHEBI:136771) has role Brassica napus metabolite (CHEBI:140165)
S-(6-methylthiohexylhydroximoyl)glutathione (CHEBI:136771) is a N-hydroxyimidothioate (CHEBI:136428)
S-(6-methylthiohexylhydroximoyl)glutathione (CHEBI:136771) is a S-substituted glutathione (CHEBI:17021)
IUPAC Name 
L-γ-glutamyl-S-[N-hydroxy-6-(methylsulfanyl)hexanimidoyl]-L-cysteinylglycine
Synonym  Source
6-methylthiohexylhydroximoylglutathioneChEBI