1.0 2011-09-21 01:50:21 UTC 2015-07-21 06:59:38 UTC FDB029115 12S-HHT 12(S)-HHTrE is an unusual product of the cyclooxygenase (COX) pathway and one of the primary arachidonic acid metabolites of the human platelet.1 It is biosynthesized by thromboxane (TX) synthesis from prostaglandin H2 (PGH2) concurrently with TXA2. The biological role of 12(S)-HHTrE is uncertain. It is avidly oxidized to 12-oxoHTrE by porcine 15-hydroxy PGDH. [HMDB] 12-HHTre 12-hydroxyheptadecatrienoate 12-hydroxyheptadecatrienoic acid 12(S)-hydroxy-(5Z,8Z,10E)-heptadeca-5,8,10-trienoate 12(S)-hydroxy-(5Z,8Z,10E)-heptadeca-5,8,10-trienoic acid 12(S)-hydroxy-(5Z,8Z,10E)-heptadeca-5,8,10-trienoic acid anion 12S-Hydroxy-5Z,8e,10e-heptadecatrienoate 12S-Hydroxy-5Z,8e,10e-heptadecatrienoic acid HHT hydroxyheptadecatrienate hydroxyheptadecatrienoate hydroxyheptadecatrienoic acid hydroxyheptadecatrienoic acid anion C17H28O3 280.4024 280.203844762 (5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid 12-HHTrE 54397-84-1 CCCCC[C@H](O)\C=C\C=C\C\C=C/CCCC(O)=O InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1 KUKJHGXXZWHSBG-WBGSEQOASA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Unsaturated fatty acid 12-HHTrE Hydroxy/hydroperoxyeicosatrienoic acids Solid logp 4.99 ALOGPS logs -4.28 ALOGPS solubility 1.47e-02 g/l ALOGPS logp 4.38 ChemAxon pka_strongest_acidic 4.89 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid ChemAxon average_mass 280.4024 ChemAxon mono_mass 280.203844762 ChemAxon smiles CCCCC[C@H](O)\C=C\C=C\C\C=C/CCCC(O)=O ChemAxon formula C17H28O3 ChemAxon inchi InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1 ChemAxon inchikey KUKJHGXXZWHSBG-WBGSEQOASA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 86.55 ChemAxon polarizability 34.15 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10676 Specdb::CMs 39948 Specdb::CMs 169196 Specdb::MsMs 289522 Specdb::MsMs 289523 Specdb::MsMs 289524 Specdb::MsMs 328957 Specdb::MsMs 328958 Specdb::MsMs 328959 Specdb::MsMs 2675827 Specdb::MsMs 2675828 Specdb::MsMs 2675829 Specdb::MsMs 3029090 Specdb::MsMs 3029091 Specdb::MsMs 3029092 HMDB12535