9HO

(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid

Created:	2008-04-29
Last modified:	2011-06-04

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2 entries where 9HO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	0

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Chemical Component Summary
Name	(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
Systematic Name (OpenEye OEToolkits)	(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
Formula	C₁₈ H₃₂ O₃
Molecular Weight	296.445
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCCCC(O)\C=C\C=C/CCCCC
SMILES	CACTVS	3.341	CCCCCC=CC=C[CH](O)CCCCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC=CC=CC(CCCCCCCC(=O)O)O
Canonical SMILES	CACTVS	3.341	CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCC\C=C/C=C/[C@H](CCCCCCCC(=O)O)O
InChI	InChI	1.03	InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1
InChIKey	InChI	1.03	NPDSHTNEKLQQIJ-UINYOVNOSA-N

Drug Info: DrugBank

DrugBank ID	DB07302
Name	9(S)-HODE
Groups	experimental
Synonyms	(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid 9(S)-HODE alpha-Dimorphecolic acid 9S-Hode
CAS number	73543-67-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Peroxisome proliferator-activated receptor gamma	MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...	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