1.0 2010-04-08 22:07:07 UTC 2025-11-18 23:01:46 UTC FDB006381 (11R,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid can be found in rice, which makes (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid a potential biomarker for the consumption of this food product. 12(S),13(S)-EPOXY-11(R)-HYDROXY-OCTADECA-CIS-9,CIS15-DIEN-1-OIC-ACID C18H30O4 310.4284 310.214409448 (9Z,11R)-11-hydroxy-11-[(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl]undec-9-enoic acid (9Z,11R)-11-hydroxy-11-[(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl]undec-9-enoic acid 111-40-0 CC\C=C/C[C@@H]1O[C@H]1[C@H](O)\C=C/CCCCCCCC(O)=O InChI=1S/C18H30O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h3,9-10,12,15-16,18-19H,2,4-8,11,13-14H2,1H3,(H,20,21)/b9-3-,12-10-/t15-,16+,18+/m1/s1 XHMGEKKHSKIGMI-BDBJOHPESA-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 heteromonocyclic compounds Carbonyl compounds Carboxylic acids Dialkyl ethers Epoxides Epoxy fatty acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Epoxy fatty acid Ether Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Secondary alcohol Unsaturated fatty acid logp 4.51 ALOGPS logs -4.11 ALOGPS solubility 2.39e-02 g/l ALOGPS logp 4.2 ChemAxon pka_strongest_acidic 4.99 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (9Z,11R)-11-hydroxy-11-[(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl]undec-9-enoic acid ChemAxon average_mass 310.4284 ChemAxon mono_mass 310.214409448 ChemAxon smiles CC\C=C/C[C@@H]1O[C@H]1[C@H](O)\C=C/CCCCCCCC(O)=O ChemAxon formula C18H30O4 ChemAxon inchi InChI=1S/C18H30O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h3,9-10,12,15-16,18-19H,2,4-8,11,13-14H2,1H3,(H,20,21)/b9-3-,12-10-/t15-,16+,18+/m1/s1 ChemAxon inchikey XHMGEKKHSKIGMI-BDBJOHPESA-N ChemAxon polar_surface_area 70.06 ChemAxon refractivity 89.25 ChemAxon polarizability 36.26 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 104136 Specdb::MsMs 104137 Specdb::MsMs 104138 Specdb::MsMs 170343 Specdb::MsMs 170344 Specdb::MsMs 170345 Specdb::MsMs 3602906 Specdb::MsMs 3602907 Specdb::MsMs 3602908 Specdb::MsMs 3602909 Specdb::MsMs 3602910 Specdb::MsMs 3602911 Rice Type 1 specific Oryza sativa 4530 0.09 0.09 0.09 mg/100 g