Showing CypComp Card for CC02053: Theobromine (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:36:33 UTC
Last Updated2019-10-01 21:41:20 UTC
CypComp IDCC02053
Compound Information
NameTheobromine
Structure ImageYapqbxqyljrxsa uhfffaoysa n
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
PubChem ID5429
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <12,4;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <12,4;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <13,3;Cleavage;R2>
  • <13,H;Oxidation;R2>
  • <11,H;Hydroxylation;R3>
  • Not Available
References
  1. Gates S, Miners JO: Cytochrome P450 isoform selectivity in human hepatic theobromine metabolism. Br J Clin Pharmacol. 1999 Mar;47(3):299-305. doi: 10.1046/j.1365-2125.1999.00890.x. [PubMed:10215755 ]
Download FileCC02053.sdf