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	22:6(n-3) docosa-4,7,10,13,16,19-hexaenoic acid all-cis-4,7,10,13,16,19-docosahexaenoic acid 22:6-4, 7,10,13,16,19 Doconexent DHA all-cis-DHA cervonic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid Doconexent sodium Docosahexaenoic acid Docosahexanoic Acid 4,7,10,13,16,19-docosahexaenoic acid
Brand Names	Multinate DHA Extra Folcaps Omega-3 Focalgin CA CitraNatal Medley CitraNatal Harmony Vitaphil DHA Extra-Virt Plus DHA Virt-PN Plus OBTREX DHA Combo Pack Zatean-Pn DHA BP Vit 3 Se-Tan DHA WesCap-C-DHA CitraNatal Essence Virt-Pn DHA Vitafol Fe Plus NESTABS ABC Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA A2A Omega 3 VP CH Ultra Zatean-CH Natalvirt Ca Herbalifeline WesNatal DHA Complete Se-Plete DHA Tricare Prenatal DHA One Docosavit Tricare Prenatal DHA One With Folate Folcal DHA Vp-pnv-dha CitraNatal Assure Super Omega 3 Virt-PN DHA Tricare Prenatal 2-part Daily Prenatal Vitamin System Folet DHA Prena1 VirtPrex Multinate DHA Obtrex One Virt-Select PRENATAL/POSTNATAL Cavan One Premium Omega 3 Active OB Tricare Prenatal Twist-off DHA Soft Quick Dissolve TL-Select Renate HemeNatal OB plus DHA Nutri-Tab OB plus DHA OB Complete Petite Taliva UltimateCare ONE NF OB Complete 400 Obstetrix DHA Combo Pack Triveen-PRx RNF vitaMedMD Rx Plus Taliment Prenaissance Prenate Mini CitraNatal DHA CitraNatal Harmony 3.0 Ultimate OB DHA Provida DHA Prena1 Plus VP CH Plus Virt-Care One Folet One Select-OB Plus DHA Prenatal Supplement Plus DHA Vp-CH-pnv Nestabs ONE Pnv Ob DHA Tricare Prenatal Compleat Vitafol-OB Plus DHA Prenatal Supplement Plus DHA Obstetrix ONE Vitaphil 90 DHA Zatean-Pn Plus Natalvirt 90dha Re Ob 90 DHA Complete Natal DHA PreNexa premier Triveen-Duo DHA Choice OB DHA Ultra Omega 3 Pre-Tabs DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA Dothelle DHA PRENATE Restore WesCap-PN DHA NESTABS DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA Tendera-OB VITAFOL Gummies Folivane-PRx DHA PNV-Omega Virt-C DHA Cavan Folate DHA Rulavite DHA WestGel DHA PreQue 10 Foltabs Prenatal Plus DHA Gesticare DHA Animi-3 Pnv-dha PreNexa PreferaOB One PreFol-DHA VemaVite-PRx 2 with Fish-Based DHA Natelle One natelle COMPLETE Prenate Essential Virt-Bal DHA Plus Calcium PNV A2A Omega-3 Protect Cardio AF Oveeza vitaMedMD One Rx Taron-prex Prenatal Prenaissance Plus Paire OB Plus DHA Vitafol Ultra Luvira Pnv-OB-dha Iron Polysaccharides Folic Acid DHA PRENATE Enhance Renate DHA Prenate DHA Tricare Prenatal DHA One Rx Multivitamin Animi-3 with Vitamin D Prenatal, DHA Folcaps Care One VP-HEME One TL-Care DHA Nexa Select Focalgin 90 DHA TriStart DHA Omega-3 Iq Childrens Chewable
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