Basic information
- CAS
1345275-24-2- Standard SMILES
CC/C=C\C/C=C\CC(O)C(O)C/C=C\C/C=C\C/C=C\CCC(=O)O- InChIKey
LINXWSBRRJSWHL-UQZHZJRSSA-N- Molecular formula
- C22H34O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.24570956
Overview
13,14-DiHDPE is a very long-chain fatty acid.
Names & identifiers
- Preferred name
- 13,14-DiHDPE
- IUPAC
- (4Z,7Z,10Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,16,19-pentaenoic acid
- English name
- (13(14)-DiHDPA
- Molecular formula
- C22H34O4
- Molecular weight
- 362.5
Names & synonyms
13,14-DiHDPERefChem:78366(+-)-13,14-dihydroxy-4Z,7Z,10Z,16Z,19Z-docosapentaenoic acid1345275-24-2(4Z,7Z,10Z,16Z,19Z)-13,14-DIHYDROXYDOCOSA-4,7,10,16,19-PENTAENOIC ACID(+/-)-13,14-dihydroxy-4Z,7Z,10Z,16Z,19Z-docosapentaenoic acid(?)13(14)-DiHDPA13,14-DiHDPAorb1985148SCHEMBL23646060CHEBI:165248(??)13(14)-DiHDPA
Show more names
(13(14)-DiHDPA(±)13(14)-DiHDPA13,14-Dihydroxy-4(Z),7(Z),10(Z),16(Z),19(Z)-DPA13,14-dihydroxy-4(Z),7(Z),10(Z),16(Z),19(Z)-docosapentaenoic acid4,7,10,16,19-Docosapentaenoic acid, 13,14-dihydroxy-, (4Z,7Z,10Z,16Z,19Z)-
LMFA04000041AKOS04075466113(14)-DiHDPA; 13,14-DiHDPAHY-158623T35495
Database identifiers
- CAS
1345275-24-2- PubChem CID
- 16061146
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Docosanoids [FA04] -> Other Docosanoids [FA0400]
Collision Cross Section192.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
Physicochemical properties
- Boiling point
- 537.8 · 537.8±50.0 °C(Predicted)
- Density
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 0.25 mg/ml
- pka
- 4.58 · 4.58±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Description(±)13(14)-DiHDPA is a metabolite of docosahexaenoic acid (DHA; ) that is produced via oxidation by cytochrome P450 epoxygenases. Epoxygenase metabolites of DHA, including (±)13(14)-DiHDPA, are reported to inhibit angiogenesis, tumor growth, and metastasis.
Uses(±)13(14)-DiHDPA ((±)13,14-DiHDPE) a metabolite of Docosahexaenoic acid (DHA; HY-B2167) by P450 (CYP) metabolic pathways[1].
Suppliers8 total
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
武汉艾美捷科技有限公司4006800868;027-59626688 18771149750 · [email protected]
Additional notes
DefinitionChEBI: 13,14-DiHDPE is a very long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…