HXD

(3R)-3-HYDROXYDODECANOIC ACID

Created:	2006-01-31
Last modified:	2024-09-27

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3 entries where HXD is found as a standalone ligand2 entries where HXD is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	0

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Chemical Component Summary
Name	(3R)-3-HYDROXYDODECANOIC ACID
Synonyms	3-OH-DODECANOATE
Systematic Name (OpenEye OEToolkits)	(3R)-3-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)CC(O)CCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCC[CH](O)CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCC(CC(=O)O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCC[C@@H](O)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCC[C@H](CC(=O)O)O
InChI	InChI	1.03	InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
InChIKey	InChI	1.03	MUCMKTPAZLSKTL-LLVKDONJSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB07930
Name	(3R)-3-HYDROXYDODECANOIC ACID
Groups	experimental
Synonyms	(3R)-3-HYDROXYDODECANOIC ACID

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Peroxisomal acyl-coenzyme A oxidase 1	MNPDLRRERDSASFNPELLTHILDGSPEKTRRRREIENMILNDPDFQHED...	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