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Record Information
Version1.0
Creation Date2019-07-14 16:35:33 UTC
Last Updated2019-10-01 21:41:00 UTC
CypComp IDCC01894
Compound Information
NameBenzo[a]pyrene
Structure ImageFmmwhpnwafzxnh uhfffaoysa n
InChIKeyFMMWHPNWAFZXNH-UHFFFAOYSA-N
PubChem ID2336
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <11,13;EpOxidation;R1>
  • <16,19;EpOxidation;R2>
  • <17,20;EpOxidation;R3>
  • <15,H;Hydroxylation;R4>
  • <19,H;Hydroxylation;R5>
  • Not Available
  • Not Available
  • <11,13;EpOxidation;R1>
  • <17,20;EpOxidation;R2>
  • <15,H;Hydroxylation;R3>
  • <15,H;Hydroxylation;R1>
  • <17,20;EpOxidation;R2>
  • Not Available
  • Not Available
  • <15,H;Hydroxylation;R1>
  • <17,20;EpOxidation;R2>
  • <11,13;EpOxidation;R1>
  • <16,19;EpOxidation;R2>
  • <17,20;EpOxidation;R3>
  • <15,H;Hydroxylation;R4>
  • <19,H;Hydroxylation;R5>
References
  1. Bauer E, Guo Z, Ueng YF, Bell LC, Zeldin D, Guengerich FP: Oxidation of benzo[a]pyrene by recombinant human cytochrome P450 enzymes. Chem Res Toxicol. 1995 Jan-Feb;8(1):136-42. [PubMed:7703357 ]
Download FileCC01894.sdf