12H

12-HYDROXYDODECANOIC ACID

Created:	2002-07-19
Last modified:	2011-06-04

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4 entries where 12H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	0

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Chemical Component Summary
Name	12-HYDROXYDODECANOIC ACID
Systematic Name (OpenEye OEToolkits)	12-hydroxydodecanoic acid
Formula	C₁₂ H₂₄ O₃
Molecular Weight	216.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCCCCCCCO
SMILES	CACTVS	3.341	OCCCCCCCCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CCCCCC(=O)O)CCCCCO
Canonical SMILES	CACTVS	3.341	OCCCCCCCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CCCCCC(=O)O)CCCCCO
InChI	InChI	1.03	InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChIKey	InChI	1.03	ZDHCZVWCTKTBRY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03704
Name	12-Hydroxydodecanoic Acid
Groups	experimental
Synonyms	12-Hydroxydodecanoic Acid
Categories	Fatty Acids Lipids
CAS number	505-95-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Alcohol dehydrogenase class-3	MANEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAY...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682