1.0 2020-04-03 05:04:11 UTC 2020-04-03 05:04:12 UTC FDB097399 10E-heptadecenoic acid C38H74NO8P 703.983 703.515205345 (10E)-heptadec-10-enoic acid (10E)-heptadec-10-enoic acid [H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-15-13-11-9-7-2/h18-19,36H,6-17,20-35H2,1-5H3/b19-18-/t36-/m1/s1 LPUZRKCOBURCPA-UAIAYBLDSA-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 Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid 10-heptadecenoic acid Unsaturated fatty acids logp 7.21 ALOGPS logs -6.07 ALOGPS solubility 2.26e-04 g/l ALOGPS logp 6.34 ChemAxon pka_strongest_acidic 5.02 ChemAxon iupac (10E)-heptadec-10-enoic acid ChemAxon average_mass 703.983 ChemAxon mono_mass 703.515205345 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C38H74NO8P ChemAxon inchi InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-15-13-11-9-7-2/h18-19,36H,6-17,20-35H2,1-5H3/b19-18-/t36-/m1/s1 ChemAxon inchikey LPUZRKCOBURCPA-UAIAYBLDSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 82.8 ChemAxon polarizability 35.53 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1261039 Specdb::MsMs 1261040 Specdb::MsMs 1261041 Specdb::MsMs 1376158 Specdb::MsMs 1376159 Specdb::MsMs 1376160 Milk (Cow) Type 2 specific 89.118 314.0 0.29 uM