HXA

DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID

Created:	2000-08-03
Last modified:	2011-06-04

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16 entries where HXA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	0

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Chemical Component Summary
Name	DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
Systematic Name (OpenEye OEToolkits)	(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
Formula	C₂₂ H₃₂ O₂
Molecular Weight	328.488
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CC\C=C/C/C=C\C\C=C/C\C=C/C\C=C/C\C=C/CC
SMILES	CACTVS	3.341	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
Canonical SMILES	CACTVS	3.341	CC/C=C\C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O
InChI	InChI	1.03	InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey	InChI	1.03	MBMBGCFOFBJSGT-KUBAVDMBSA-N

Drug Info: DrugBank

DrugBank ID	DB03756
Name	Doconexent
Groups	approved investigational
Description	A mixture of fish oil and primrose oil, doconexent is used as a high-docosahexaenoic acid (DHA) supplement. DHA is a 22 carbon chain with 6 cis double bonds with anti-inflammatory effects. It can be biosythesized from alpha-linolenic acid or commercially manufactured from microalgae. It is an omega-3 fatty acid and primary structural component of the human brain, cerebral cortex, skin, and retina thus plays an important role in their development and function. The amino-phospholipid DHA is found at a high concentration across several brain subcellular fractions, including nerve terminals, microsomes, synaptic vesicles, and synaptosomal plasma membranes [A19436].
Synonyms	Doconexent (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid 22:6-4, 7,10,13,16,19 Docosahexanoic Acid cervonic acid Docosahexaenoic acid Doconexent sodium 22:6(n-3) all-cis-DHA all-cis-4,7,10,13,16,19-docosahexaenoic acid 4,7,10,13,16,19-docosahexaenoic acid docosa-4,7,10,13,16,19-hexaenoic acid DHA
Brand Names	Provida DHA Prenatal, DHA PRENATE Restore VemaVite-PRx 2 with Fish-Based DHA Super Omega 3 Zatean-Pn Plus Animi-3 OB Complete Petite Taron-prex Prenatal A2A Omega 3 Taliva A2A Omega-3 Pnv-dha Taliment Vitaphil 90 DHA Folivane-PRx DHA Nutri-Tab OB plus DHA Tricare Prenatal Compleat Se-Plete DHA Paire OB Plus DHA Extra-Virt Plus DHA Tricare Prenatal DHA One With Folate Prena1 Folet DHA Obstetrix DHA Combo Pack Re Ob 90 DHA Prenate Essential Ultimate OB DHA Oveeza PreferaOB One VITAFOL Gummies Virt-PN Plus Se-Tan DHA Calcium PNV CitraNatal Assure OBTREX DHA Combo Pack WesCap-PN DHA vitaMedMD Rx Plus Folcaps Care One Virt-PN DHA Premium Omega 3 CitraNatal DHA PRENATE Enhance Choice OB DHA Docosavit Animi-3 with Vitamin D PreQue 10 Zatean-CH Tricare Prenatal Twist-off DHA Soft Quick Dissolve Natalvirt 90dha Luvira Protect Cardio AF CitraNatal Essence Omega-3 Iq Childrens Chewable VP-HEME One UltimateCare ONE NF Vitafol-OB Plus DHA Prenatal Supplement Plus DHA Cavan Folate DHA Foltabs Prenatal Plus DHA Renate WesNatal DHA Complete CitraNatal Medley WestGel DHA Vp-pnv-dha PreFol-DHA natelle COMPLETE PreNexa HemeNatal OB plus DHA Active OB CitraNatal Harmony Tricare Prenatal 2-part Daily Prenatal Vitamin System Vp-CH-pnv Nexa Select VP CH Ultra vitaMedMD One Rx Prenaissance Zatean-Pn DHA Prenate Mini Virt-Pn DHA WesCap-C-DHA PreNexa premier PNV-Omega Rulavite DHA TL-Select Virt-Bal DHA Plus Tricare Prenatal DHA One Herbalifeline BP Vit 3 Natelle One Complete Natal DHA Ultra Omega 3 Obtrex One Vitafol Fe Plus Folcal DHA Prenaissance Plus Prenate DHA Tendera-OB TL-Care DHA Cavan One Pnv-OB-dha Multinate DHA Extra Pre-Tabs DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA VP CH Plus Gesticare DHA Folcaps Omega-3 Nestabs ONE TriStart DHA Obstetrix ONE Iron Polysaccharides Folic Acid DHA Pnv Ob DHA VirtPrex NESTABS DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA CitraNatal Harmony 3.0 Focalgin CA Folet One NESTABS ABC Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA Focalgin 90 DHA Multinate DHA Renate DHA Natalvirt Ca Triveen-PRx RNF Select-OB Plus DHA Prenatal Supplement Plus DHA Virt-Care One OB Complete 400 Tricare Prenatal DHA One Rx Multivitamin Triveen-Duo DHA Vitaphil DHA Dothelle DHA Virt-Select PRENATAL/POSTNATAL Vitafol Ultra Virt-C DHA Prena1 Plus
Indication	Used as a high-docosahexaenoic acid (DHA) oral supplement.
Categories	Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dietary Fats Dietary Fats, Unsaturated Fats Fatty Acids Fatty Acids, Omega-3 Fatty Acids, Unsaturated Fish Oils Lipids Oils
CAS number	6217-54-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Peroxisome proliferator-activated receptor alpha	MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFG...	unknown	activator
Peroxisome proliferator-activated receptor gamma	MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...	unknown	activator
Retinoic acid receptor RXR-alpha	MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSP...	unknown	activator
Retinoic acid receptor RXR-beta	MSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAA...	unknown	activator
Retinoic acid receptor RXR-gamma	MYGNYSHFMKFPAGYGGSPGHTGSTSMSPSAALSTGKPMDSHPSYTDTPV...	unknown	activator
Sterol regulatory element-binding protein 1	MDEPPFSEAALEQALGEPCDLDAALLTDIEDMLQLINNQDSDFPGLFDPP...	unknown	inhibitor
Myc proto-oncogene protein	MPLNVSFTNRNYDLDYDSVQPYFYCDEEENFYQQQQQSELQPPAPSEDIW...	unknown	inhibitor
Cytochrome P450 2C9	MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...	unknown	substrate,inhibitor
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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