1.0 2020-04-03 05:04:26 UTC 2020-04-03 05:04:27 UTC FDB097401 Civetic acid C55H96O6 853.367 852.720690811 (8Z)-heptadec-8-enoic acid (8Z)-heptadec-8-enoic acid [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C55H96O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-32-29-24-22-20-17-14-11-8-5-2/h7,10,16,19,23,25,27-28,31,33,52H,4-6,8-9,11-15,17-18,20-22,24,26,29-30,32,34-51H2,1-3H3/b10-7-,19-16-,25-23-,28-27-,33-31-/t52-/m0/s1 ZZEBATNCADRNOB-KZIIIBBYSA-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 Unsaturated fatty acids heptadecenoic acid straight-chain fatty acid logp 7.23 ALOGPS logs -6.09 ALOGPS solubility 2.17e-04 g/l ALOGPS logp 6.34 ChemAxon pka_strongest_acidic 4.89 ChemAxon iupac (8Z)-heptadec-8-enoic acid ChemAxon average_mass 853.367 ChemAxon mono_mass 852.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C55H96O6 ChemAxon inchi InChI=1S/C55H96O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-32-29-24-22-20-17-14-11-8-5-2/h7,10,16,19,23,25,27-28,31,33,52H,4-6,8-9,11-15,17-18,20-22,24,26,29-30,32,34-51H2,1-3H3/b10-7-,19-16-,25-23-,28-27-,33-31-/t52-/m0/s1 ChemAxon inchikey ZZEBATNCADRNOB-KZIIIBBYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 82.8 ChemAxon polarizability 34.98 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1234963 Specdb::MsMs 1234964 Specdb::MsMs 1234965 Specdb::MsMs 1350448 Specdb::MsMs 1350449 Specdb::MsMs 1350450 Milk (Cow) Type 2 specific 100.07375 314.0 0.29 uM