Showing CypComp Card for CC01818: 4-Nitropyrene (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:35:03 UTC
Last Updated2019-10-01 21:40:50 UTC
CypComp IDCC01818
Compound Information
Name4-Nitropyrene
Structure ImageUiskiuiwpspsav uhfffaoysa n
InChIKeyUISKIUIWPSPSAV-UHFFFAOYSA-N
PubChem ID62134
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <17,19;UnspReduction;R1>
  • <17,18;UnspReduction;R1>
  • <9,11;Epoxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <17,19;Reduction;R1>
  • <17,18;Reduction;R1>
  • <9,H;Hydroxylation;R2>
  • <11,H;Hydroxylation;R3>
  • <9,11;Epoxidation;R4>
  • <14,H;Hydroxylation;R5>
  • <12,H;Hydroxylation;R6>
References
  1. Chae YH, Thomas T, Guengerich FP, Fu PP, El-Bayoumy K: Comparative metabolism of 1-, 2-, and 4-nitropyrene by human hepatic and pulmonary microsomes. Cancer Res. 1999 Apr 1;59(7):1473-80. [PubMed:10197616 ]
Download FileCC01818.sdf