Showing CypComp Card for CC02134: Hexane (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:37:01 UTC
Last Updated2019-10-01 21:41:30 UTC
CypComp IDCC02134
Compound Information
NameHexane
Structure ImageVlkzoeoyakhrep uhfffaoysa n
InChIKeyVLKZOEOYAKHREP-UHFFFAOYSA-N
PubChem ID8058
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • Not Available
  • Not Available
  • <1,H;Hydroxylation;R1>
  • <2,H;Hydroxylation;R2>
  • <3,H;Hydroxylation;R3>
  • <4,H;Hydroxylation;R4>
  • <5,H;Hydroxylation;R5>
  • <6,H;Hydroxylation;R6>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <2,H;Hydroxylation;R1>
  • <5,H;Hydroxylation;R2>
  • Not Available
References
  1. Crosbie SJ, Blain PG, Williams FM: Metabolism of n-hexane by rat liver and extrahepatic tissues and the effect of cytochrome P-450 inducers. Hum Exp Toxicol. 1997 Mar;16(3):131-7. doi: 10.1177/096032719701600301. [PubMed:9088965 ]
  2. Iba MM, Fung J, Gonzalez FJ: Functional Cyp2e1 is required for substantial in vivo formation of 2,5-hexanedione from n-hexane in the mouse. Arch Toxicol. 2000 Dec;74(10):582-6. [PubMed:11201664 ]
Download FileCC02134.sdf