Benzo[a]pyrene-4,5-oxide (BioCAD00000007148)

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Metabolite Card

Formula: C20H12O (268.0888)
SMILES: O1C2C1C1=CC3=CC=CC=C3C3=C1C1=C(C=CC=C21)C=C3

Synonyms [en]

Benzo[a]pyrene-4,5-oxide; Benzo[a]pyrene-4,5-epoxide; Benzo(a)pyrene 4,5-epoxide; XGZQLNASOQVQTD-UHFFFAOYSA-N; Benzo(a)pyrene 4,5-epoxide, (+-)-isomer; Benzo(a)pyrene 4,5-oxide

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Benzo[a]pyrene-4,5-oxide. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000007148). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

This compound belongs to the family of Chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene.

Membrane
Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 37574-47-3
  • CAS Registry Number: 64437-52-1
  • CAS Registry Number: 72010-12-9
  • CAS Registry Number: 72010-13-0
  • PubChem: 37786
  • ChEBI: ChEBI:34560
  • HMDB: HMDB0060091
  • KEGG: C14851
  • BioCyc: CPD-20309
  • NCBI MeSH: benzo(a)pyrene 4,5-epoxide
  • Metlin: METLIN_70356
  • Coconut NaturalProduct: CNP0083765.0

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R07081 1.14.14.1 benzpyrene,NADPH:oxygen oxidoreductase (RH-hydroxylating or -epoxidizing)
KEGG:R07083 2.5.1.18 4,5-dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene glutathione-lyase (epoxide-forming)
BioCyc:RXN-18933 3.3.2.9 CPD-20309 + WATER --> CPD-20310
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Organism Source

Taxonomy Source

  1. Mus musculus [ncbi taxid: 10090]

Pathway Synthetic

pathway id name
PathBank:SMP0002032 Glutathione Metabolism III
Reactome:R-BTA-1430728 Metabolism
Reactome:R-BTA-211945 Phase I - Functionalization of compounds
Reactome:R-CEL-211859 Biological oxidations
Reactome:R-CFA-1430728 Metabolism
Reactome:R-HSA-211859 Biological oxidations
Reactome:R-MMU-1430728 Metabolism
Reactome:R-MMU-211859 Biological oxidations
Reactome:R-RNO-211945 Phase I - Functionalization of compounds
Reactome:R-SSC-211945 Phase I - Functionalization of compounds
Reactome:R-BTA-211859 Biological oxidations
Reactome:R-DME-1430728 Metabolism
Reactome:R-DME-211945 Phase I - Functionalization of compounds
Reactome:R-RNO-211859 Biological oxidations
Reactome:R-SSC-1430728 Metabolism
Reactome:R-SSC-211859 Biological oxidations
Reactome:R-CEL-211945 Phase I - Functionalization of compounds
Reactome:R-CFA-211859 Biological oxidations
Reactome:R-GGA-1430728 Metabolism
Reactome:R-GGA-211859 Biological oxidations
View All Pathways