1.0 2016-09-30 23:10:27 UTC 2020-04-22 15:14:06 UTC BMDB0004704 BMDB04704 9,10-DHOME (12Z)-9,10-Dihydroxyoctadec-12-enoic acid 9,10-DHOA 9,10-DHOME 9,10-Dihydroxy-12Z-octadecenoic acid 9,10-Hydroxyoctadec-12(Z)-enoic acid Leukotoxin diol (12Z)-9,10-Dihydroxyoctadec-12-enoate 9,10-Dihydroxy-12Z-octadecenoate 9,10-Hydroxyoctadec-12(Z)-enoate (9XI,10xi,12xi)-9,10-dihydroxy-12-octadecenoate 9,10-DiHOME Leukotoxin Leucotoxins LTX, Actinobacillus actinomycetemcomitans Cytotoxin C (pasteurella haemolytica) C18H34O4 314.4602 314.245709576 (12Z)-9,10-dihydroxyoctadec-12-enoic acid 9,10-DiHOME CCCCC\C=C/CC(O)C(O)CCCCCCCC(O)=O InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7- XEBKSQSGNGRGDW-YFHOEESVSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids 1,2-diols Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids 1,2-diol 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 Aliphatic acyclic compounds DiHOME Hydroxy fatty acids Other Octadecanoids Solid logp 5.18 ALOGPS logs -3.89 ALOGPS logp 4.32 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (12Z)-9,10-dihydroxyoctadec-12-enoic acid ChemAxon average_mass 314.4602 ChemAxon mono_mass 314.245709576 ChemAxon smiles CCCCC\C=C/CC(O)C(O)CCCCCCCC(O)=O ChemAxon formula C18H34O4 ChemAxon inchi InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7- ChemAxon inchikey XEBKSQSGNGRGDW-YFHOEESVSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 90.43 ChemAxon polarizability 38.08 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 14062 Specdb::CMs 38800 Specdb::MsMs 297022 Specdb::MsMs 297023 Specdb::MsMs 297024 Specdb::MsMs 338434 Specdb::MsMs 338435 Specdb::MsMs 338436 Specdb::MsMs 1218196 Specdb::MsMs 1218197 Specdb::MsMs 1218198 Specdb::MsMs 1218199 Specdb::MsMs 1218200 Specdb::MsMs 1218201 Specdb::MsMs 1218202 Specdb::MsMs 1218203 Specdb::MsMs 1218204 8142232 9966640 C14828 72663 FDB023415