Showing CypComp Card for CC01844: DMBA (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:35:13 UTC
Last Updated2019-10-01 21:40:53 UTC
CypComp IDCC01844
Compound Information
NameDMBA
Structure ImageArsrbnbhoadgju uhfffaoysa n
InChIKeyARSRBNBHOADGJU-UHFFFAOYSA-N
PubChem ID6001
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <3,4;EpOxidation;R1>
  • <8,9;EpOxidation;R2>
  • <15,16;EpOxidation;R3>
  • <19,H;Hydroxylation;R4>
  • <20,H;Hydroxylation;R5>
  • <17,H;Hydroxylation;R6>
  • <15,H;Hydroxylation;R7>
  • Not Available
  • <3,4;EpOxidation;R1>
  • <8,9;EpOxidation;R2>
  • <15,16;EpOxidation;R3>
  • <19,H;Hydroxylation;R4>
  • <20,H;Hydroxylation;R5>
  • <17,H;Hydroxylation;R6>
  • <15,H;Hydroxylation;R7>
  • <3,4;EpOxidation;R1>
  • <8,9;EpOxidation;R2>
  • <15,16;EpOxidation;R3>
  • <19,H;Hydroxylation;R4>
  • <20,H;Hydroxylation;R5>
  • <17,H;Hydroxylation;R6>
  • <15,H;Hydroxylation;R7>
  • <3,4;EpOxidation;R1>
  • <8,9;EpOxidation;R2>
  • <15,16;EpOxidation;R3>
  • <19,H;Hydroxylation;R4>
  • <20,H;Hydroxylation;R5>
  • <17,H;Hydroxylation;R6>
  • <15,H;Hydroxylation;R7>
  • Not Available
  • Not Available
  • <3,4;EpOxidation;R1>
  • <8,9;EpOxidation;R2>
  • <19,H;Hydroxylation;R3>
  • <20,H;Hydroxylation;R4>
  • <17,H;Hydroxylation;R5>
  • <15,H;Hydroxylation;R6>
  • <3,4;EpOxidation;R1>
  • <8,9;EpOxidation;R2>
  • <15,16;EpOxidation;R3>
  • <19,H;Hydroxylation;R4>
  • <20,H;Hydroxylation;R5>
  • <17,H;Hydroxylation;R6>
  • <15,H;Hydroxylation;R7>
References
  1. Shou M, Korzekwa KR, Krausz KW, Buters JT, Grogan J, Goldfarb I, Hardwick JP, Gonzalez FJ, Gelboin HV: Specificity of cDNA-expressed human and rodent cytochrome P450s in the oxidative metabolism of the potent carcinogen 7,12-dimethylbenz[a]anthracene. Mol Carcinog. 1996 Dec;17(4):241-9. doi: 10.1002/(SICI)1098-2744(199612)17:4<241::AID-MC8>3.0.CO;2-G. [PubMed:8989918 ]
Download FileCC01844.sdf