CypComp Database: Showing CypComp Card for CC02113: Valproic acid (CypBoM Training Set)

Record Information

Version

1.0

Creation Date

2019-07-14 16:36:54 UTC

Last Updated

2019-10-01 21:41:28 UTC

CypComp ID

CC02113

Compound Information

Name

Valproic acid

Structure Image

InChIKey

NIJJYAXOARWZEE-UHFFFAOYSA-N

PubChem ID

CypCompound Information

Set

CypBoM Training Set

Bonds of Metabolism (BoMs)

CYP1A2	CYP2A6	CYP2B6	CYP2C8	CYP2C9	CYP2C19	CYP2D6	CYP2E1	CYP3A4
<1,H;Hydroxylation;R1> <2,H;Hydroxylation;R2> <6,H;Hydroxylation;R3> <7,H;Hydroxylation;R4>	<1,H;Hydroxylation;R1> <2,H;Hydroxylation;R2> <6,H;Hydroxylation;R3> <7,H;Hydroxylation;R4> <3,H;Hydroxylation;R5> <5,H;Hydroxylation;R6> <1,2;Dehydrogenation;R7> <6,7;Dehydrogenation;R8>	<1,H;Hydroxylation;R1> <2,H;Hydroxylation;R2> <6,H;Hydroxylation;R3> <7,H;Hydroxylation;R4> <3,H;Hydroxylation;R5> <5,H;Hydroxylation;R6> <1,2;Dehydrogenation;R7> <6,7;Dehydrogenation;R8>	<1,H;Hydroxylation;R1> <2,H;Hydroxylation;R2> <6,H;Hydroxylation;R3> <7,H;Hydroxylation;R4>	<1,H;Hydroxylation;R1> <2,H;Hydroxylation;R2> <6,H;Hydroxylation;R3> <7,H;Hydroxylation;R4> <1,2;Dehydrogenation;R5> <6,7;Dehydrogenation;R6>	<1,H;Hydroxylation;R1> <2,H;Hydroxylation;R2> <6,H;Hydroxylation;R3> <7,H;Hydroxylation;R4>	<1,H;Hydroxylation;R1> <2,H;Hydroxylation;R2> <6,H;Hydroxylation;R3> <7,H;Hydroxylation;R4>	<1,H;Hydroxylation;R1> <2,H;Hydroxylation;R2> <6,H;Hydroxylation;R3> <7,H;Hydroxylation;R4>	Not Available

References

Kiang TK, Ho PC, Anari MR, Tong V, Abbott FS, Chang TK: Contribution of CYP2C9, CYP2A6, and CYP2B6 to valproic acid metabolism in hepatic microsomes from individuals with the CYP2C9*1/*1 genotype. Toxicol Sci. 2006 Dec;94(2):261-71. doi: 10.1093/toxsci/kfl096. Epub 2006 Aug 31. [PubMed:16945988 ]

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