1.0 2020-04-03 05:05:36 UTC 2025-11-19 03:08:00 UTC FDB097402 10Z-Heptadecenoic acid C55H96O6 853.367 852.720690811 (10Z)-heptadec-10-enoic acid (10Z)-heptadec-10-enoic acid [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC 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/h16,19,23-25,27-29,31,33,52H,4-15,17-18,20-22,26,30,32,34-51H2,1-3H3/b19-16-,25-23-,28-27-,29-24-,33-31-/t52-/m0/s1 FZYJOKBEHYPLBA-XJUHILAYSA-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 (10Z)-heptadec-10-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/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC 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/h16,19,23-25,27-29,31,33,52H,4-15,17-18,20-22,26,30,32,34-51H2,1-3H3/b19-16-,25-23-,28-27-,29-24-,33-31-/t52-/m0/s1 ChemAxon inchikey FZYJOKBEHYPLBA-XJUHILAYSA-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::CMs 36302 Specdb::CMs 48024 Specdb::CMs 151409 Specdb::MsMs 911644 Specdb::MsMs 911645 Specdb::MsMs 911646 Specdb::MsMs 958993 Specdb::MsMs 958994 Specdb::MsMs 958995 Specdb::MsMs 3224359 Specdb::MsMs 3224360 Specdb::MsMs 3224361 Specdb::MsMs 3225232 Specdb::MsMs 3225233 Specdb::MsMs 3225234 Specdb::NmrOneD 290835 Specdb::NmrOneD 290836 Specdb::NmrOneD 290837 Specdb::NmrOneD 290838 Specdb::NmrOneD 290839 Specdb::NmrOneD 290840 Specdb::NmrOneD 290841 Specdb::NmrOneD 290842 Specdb::NmrOneD 290843 Specdb::NmrOneD 290844 Specdb::NmrOneD 290845 Specdb::NmrOneD 290846 Specdb::NmrOneD 290847 Specdb::NmrOneD 290848 Specdb::NmrOneD 290849 Specdb::NmrOneD 290850 Specdb::NmrOneD 290851 Specdb::NmrOneD 290852 Specdb::NmrOneD 290853 Specdb::NmrOneD 290854 HMDB0060038 Milk (Cow) Type 2 specific 100.07375 314.0 0.29 uM