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

Record Information

Version

1.0

Creation Date

2019-07-14 16:35:19 UTC

Last Updated

2019-10-01 21:40:55 UTC

CypComp ID

CC01861

Compound Information

Name

NDEA

Structure Image

InChIKey

WBNQDOYYEUMPFS-UHFFFAOYSA-N

PubChem ID

CypCompound Information

Set

CypBoM Training Set

Bonds of Metabolism (BoMs)

CYP1A2	CYP2A6	CYP2B6	CYP2C8	CYP2C9	CYP2C19	CYP2D6	CYP2E1	CYP3A4
<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

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 ]

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