1.0 2010-04-08 22:10:23 UTC 2019-11-26 03:07:41 UTC FDB012832 Lumequic acid Isolated from seed oil of Ximenia americana (tallow nut). Lumequic acid is found in fruits. Lumequic acid C30H58O2 450.7803 450.4436811 (21E)-triacont-21-enoic acid (21E)-triacont-21-enoic acid 67329-09-3 CCCCCCCC\C=C\CCCCCCCCCCCCCCCCCCCC(O)=O InChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h9-10H,2-8,11-29H2,1H3,(H,31,32)/b10-9+ QXYCISFUJXCMSU-MDZDMXLPSA-N belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Very 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 Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Very long-chain fatty acid logp 10.37 ALOGPS logs -7.56 ALOGPS solubility 1.24e-05 g/l ALOGPS melting_point Mp 60.8-61.2° logp 12.12 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac (21E)-triacont-21-enoic acid ChemAxon average_mass 450.7803 ChemAxon mono_mass 450.4436811 ChemAxon smiles CCCCCCCC\C=C\CCCCCCCCCCCCCCCCCCCC(O)=O ChemAxon formula C30H58O2 ChemAxon inchi InChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h9-10H,2-8,11-29H2,1H3,(H,31,32)/b10-9+ ChemAxon inchikey QXYCISFUJXCMSU-MDZDMXLPSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 142.61 ChemAxon polarizability 63.39 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11246 Specdb::CMs 43873 Specdb::CMs 136350 Specdb::CMs 144084 Specdb::MsMs 71913 Specdb::MsMs 71914 Specdb::MsMs 71915 Specdb::MsMs 130689 Specdb::MsMs 130690 Specdb::MsMs 130691 Specdb::MsMs 2265963 Specdb::MsMs 2265964 Specdb::MsMs 2265965 Specdb::MsMs 3076950 Specdb::MsMs 3076951 Specdb::MsMs 3076952 HMDB34432 #<Reference:0x000055ce31cf48b0> Fruits Unknown generic