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CHEBI:34479 - 7,8-dihydro-7-hydroxy-8S-glutathionylbenzo[a]pyrene

ChEBI IDCHEBI:34479
ChEBI Name7,8-dihydro-7-hydroxy-8S-glutathionylbenzo[a]pyrene
Stars
ASCII Name7,8-dihydro-7-hydroxy-8S-glutathionylbenzo[a]pyrene
DefinitionA glutathione derivative in which the hydrogen of the side-chain thiol function of glutathione is substituted by a 7-hydroxy-7,8-dihydrobenzo[pqr]tetraphen-8-yl group.
Last Modified27 January 2016
DownloadsMolfile
FormulaC30H29N3O7S
Net Charge0
Average Mass575.643
Monoisotopic Mass575.17262
SMILESN[C@@H](CCC(=O)N[C@@H](CSC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C30H29N3O7S/c31-21(30(39)40)9-11-24(34)33-22(29(38)32-13-25(35)36)14-41-23-10-8-18-19-7-6-16-3-1-2-15-4-5-17(27(19)26(15)16)12-20(18)28(23)37/h1-8,10,12,21-23,28,37H,9,11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,23?,28?/m0/s1
InChIKeyGODDWIDSELPRPA-QMIJOYDGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
7,8-dihydro-7-hydroxy-8S-glutathionylbenzo[a]pyrene (CHEBI:34479) has parent hydride benzo[a]pyrene (CHEBI:29865)
7,8-dihydro-7-hydroxy-8S-glutathionylbenzo[a]pyrene (CHEBI:34479) has role mouse metabolite (CHEBI:75771)
7,8-dihydro-7-hydroxy-8S-glutathionylbenzo[a]pyrene (CHEBI:34479) is a glutathione derivative (CHEBI:24337)
IUPAC Name 
L-γ-glutamyl-S-(7-hydroxy-7,8-dihydrobenzo[pqr]tetraphen-8-yl)-L-cysteinylglycine
Synonym  Source
7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyreneKEGG COMPOUND
Manual XrefsDatabases
C14856KEGG COMPOUND