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Showing CypComp Card for CC01861: NDEA (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:35:19 UTC
Last Updated2019-10-01 21:40:55 UTC
CypComp IDCC01861
Compound Information
NameNDEA
Structure ImageWbnqdoyyeumpfs uhfffaoysa n
InChIKeyWBNQDOYYEUMPFS-UHFFFAOYSA-N
PubChem ID5921
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <4,3;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <4,3;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <4,3;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <4,3;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <4,3;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <4,3;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <4,3;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <4,3;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
  • <4,3;Cleavage;R1>
  • <4,H;Oxidation;R1>
  • <6,3;Cleavage;R2>
  • <6,H;Oxidation;R2>
References
  1. Bellec G, Dreano Y, Lozach P, Menez JF, Berthou F: Cytochrome P450 metabolic dealkylation of nine N-nitrosodialkylamines by human liver microsomes. Carcinogenesis. 1996 Sep;17(9):2029-34. doi: 10.1093/carcin/17.9.2029. [PubMed:8824531 ]
Download FileCC01861.sdf