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CHEBI:34374 - 4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene

ChEBI IDCHEBI:34374
ChEBI Name4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC30H29N3O7S
Net Charge0
Average Mass575.643
Monoisotopic Mass575.17262
SMILESN[C@@H](CCC(=O)N[C@@H](CSC1c2cc3ccccc3c3ccc4cccc(c4c23)C1O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C30H29N3O7S/c31-21(30(39)40)10-11-23(34)33-22(29(38)32-13-24(35)36)14-41-28-20-12-16-4-1-2-6-17(16)18-9-8-15-5-3-7-19(27(28)37)25(15)26(18)20/h1-9,12,21-22,27-28,37H,10-11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,27?,28?/m0/s1
InChIKeyPZXCOGFLSNREMF-SUZCJKPRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene (CHEBI:34374) is a peptide (CHEBI:16670)
Synonym  Source
4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyreneKEGG COMPOUND
Manual XrefsDatabases
C14855KEGG COMPOUND
HMDB0060391HMDB