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(±) 13 (14) -DiHDPA

CAT: 0804-HY-158623-01Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-158623-01Size:50 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(±) 13 (14) -DiHDPA ((±) 13,14-DiHDPE) a metabolite of Docosahexaenoic acid (DHA; HY-B2167) by P450 (CYP) metabolic pathways[1].
CAS Number
1345275-24-2
Product Name Alternative
(±) 13,14-DiHDPE
UNSPSC
12352211
Target
Drug Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/racemic-13-14-dihdpa.html
Smiles
CC/C=C\C/C=C\CC(O)C(O)C/C=C\C/C=C\C/C=C\CCC(O)=O
Molecular Formula
C22H34O4
Molecular Weight
362.50
References & Citations
[1]Susanna L Lundström, et al. Lipid mediator serum profiles in asthmatics significantly shift following dietary supplementation with omega-3 fatty acids. Mol Nutr Food Res. 2013 Aug;57 (8) :1378-89.|[2]Susanna L Lundström, et al. Lipid mediator serum profiles in asthmatics significantly shift following dietary supplementation with omega-3 fatty acids. Mol Nutr Food Res. 2013 Aug;57 (8) :1378-89.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

13,14-DiHDPE

13,14-DiHDPE is a very long-chain fatty acid.

CAS Number1345275-24-2
PubChem CID16061146
IUPAC Name(4Z,7Z,10Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,16,19-pentaenoic acid
Molecular FormulaC22H34O4
Molecular Weight362.5
XLogP4.3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count26
Formal Charge0
Complexity486
SMILES
CC/C=C\C/C=C\CC(C(C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O
InChI
InChI=1S/C22H34O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h3-4,6-7,10-15,20-21,23-24H,2,5,8-9,16-19H2,1H3,(H,25,26)/b4-3-,7-6-,13-10-,14-11-,15-12-
InChIKey
LINXWSBRRJSWHL-UQZHZJRSSA-N
Chemical Structure
2D Structure
2D structure of 13,14-DiHDPE
CAS: 1345275-24-2
CID: 16061146
Formula: C22H34O4
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass362.24570956
Monoisotopic Mass362.24570956
Topological Polar Surface Area77.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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