OntologieschebiclassesCHEBI:34479   
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7,8-dihydro-7-hydroxy-8S-glutathionylbenzo[a]pyrene
http://purl.obolibrary.org/obo/CHEBI_34479

A 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.

Also appears inslm
Exact Synonyms
L-gamma-glutamyl-S-(7-hydroxy-7,8-dihydrobenzo[pqr]tetraphen-8-yl)-L-cysteinylglycine
Related Synonyms
7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene
class Information
charge

0

formula

C30H29N3O7S

has_dbxref

KEGG:C14856

has_obo_namespace

chebi_ontology

inchi

InChI=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

inchikey

GODDWIDSELPRPA-QMIJOYDGSA-N

in_subset

3_STAR

mass

575.63200

monoisotopicmass

575.17262

smiles

N[C@@H](CCC(=O)N[C@@H](CSC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O)C(=O)NCC(O)=O)C(O)=O

class Relations