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

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ChEBI Name 4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene
ChEBI ID CHEBI:34374
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H29N3O7S
Net Charge 0
Average Mass 575.634
Monoisotopic Mass 575.17262
InChI InChI=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
InChIKey PZXCOGFLSNREMF-SUZCJKPRSA-N
SMILES N[C@@H](CCC(=O)N[C@@H](CSC1C(O)c2cccc3ccc4c5ccccc5cc1c4c23)C(=O)NCC(O)=O)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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]pyrene KEGG COMPOUND
Manual Xrefs Databases
C14855 KEGG COMPOUND
HMDB0060391 HMDB
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Last Modified
27 January 2016