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Docosahexaenoic acid

CAT: 0804-HY-B2167-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B2167-01Size:100 mg
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Description
Docosahexaenoic Acid (DHA) is an omega-3 fatty acid abundantly present brain and retina. It can be obtained directly from fish oil and maternal milk.
CAS Number
6217-54-5
Product Name Alternative
DHA; Cervonic acid
UNSPSC
12352211
Hazard Statement
H225, H319
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/Docosahexaenoic-Acid.html
Purity
99.81
Solubility
0.1 M NaOH : 12.5 mg/mL (ultrasonic) |DMSO : 100 mg/mL (ultrasonic) |Ethanol : 50 mg/mL (ultrasonic)
Smiles
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(O)=O
Molecular Formula
C22H32O2
Molecular Weight
328.49
Precautions
H225, H319
References & Citations
[1]Horrocks LA, et al. Health benefits of docosahexaenoic acid (DHA) . Pharmacol Res. 1999 Sep;40 (3) :211-25.|[2]Gharami K, et al. Essential role of docosahexaenoic acid towards development of a smarter brain. Neurochem Int. 2015 Oct;89:51-62.|[3]Lengqvist J, et al. Polyunsaturated fatty acids including docosahexaenoic and arachidonic acid bind to the retinoid Xreceptor alpha ligand-binding domain. Mol Cell Proteomics. 2004 Jul;3 (7) :692-703.|[4]Gamoh S, et al. Chronic administration of docosahexaenoic acid improves reference memory-related learning ability in young rats. Neuroscience. 1999;93 (1) :237-41.|[5]Ozsoy O, et al. The influence and the mechanism of docosahexaenoic acid on a mouse model of Parkinson's disease. Neurochem Int. 2011 Oct;59 (5) :664-70.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
Launched
Isoform
Human Endogenous Metabolite

Chemical Information

Doconexent

All-cis-docosa-4,7,10,13,16,19-hexaenoic acid is a docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19. It has a role as an antineoplastic agent, a nutraceutical, a mouse metabolite, a human metabolite, a Daphnia tenebrosa metabolite and an algal metabolite. It is an omega-3 fatty acid and a docosahexaenoic acid. It is a conjugate acid of a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate.

CAS Number6217-54-5
PubChem CID445580
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
Molecular FormulaC22H32O2
Molecular Weight328.5
XLogP6.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count24
Formal Charge0
Complexity462
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI
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
MBMBGCFOFBJSGT-KUBAVDMBSA-N
Chemical Structure
2D Structure
2D structure of Doconexent
CAS: 6217-54-5
CID: 445580
Formula: C22H32O2
MW: 328.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.5
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass328.240230259
Monoisotopic Mass328.240230259
Topological Polar Surface Area37.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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