Showing CypComp Card for CC01803: 1-Nitropyrene (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:34:58 UTC
Last Updated2019-10-01 21:40:49 UTC
CypComp IDCC01803
Compound Information
Name1-Nitropyrene
Structure ImageAlrlpdgcpyivhp uhfffaoysa n
InChIKeyALRLPDGCPYIVHP-UHFFFAOYSA-N
PubChem ID21694
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <12,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R2>
  • <17,18;Reduction;R3>
  • <17,19;Reduction;R3>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <8,H;Hydroxylation;R1>
  • <13,7;EpOxidation;R2>
  • <14,H;Hydroxylation;R3>
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 ]
  2. Hatanaka N, Yamazaki H, Oda Y, Guengerich FP, Nakajima M, Yokoi T: Metabolic activation of carcinogenic 1-nitropyrene by human cytochrome P450 1B1 in Salmonella typhimurium strain expressing an O-acetyltransferase in SOS/umu assay. Mutat Res. 2001 Oct 18;497(1-2):223-33. doi: 10.1016/s1383-5718(01)00254-6. [PubMed:11525925 ]
Download FileCC01803.sdf