1.0 2010-04-08 22:12:46 UTC 2019-11-26 03:14:01 UTC FDB016979 xi-7-Hydroxyhexadecanedioic acid Constituent of various plant cutins including Indian wood apple (Limonia acidissima) and tomato. xi-7-Hydroxyhexadecanedioic acid is found in fruits and garden tomato. C16H30O5 302.4064 302.20932407 7-hydroxyhexadecanedioic acid 7-hydroxyhexadecanedioic acid OC(CCCCCCCCC(O)=O)CCCCCC(O)=O InChI=1S/C16H30O5/c17-14(11-7-5-9-13-16(20)21)10-6-3-1-2-4-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21) BNKCVLYEVLBHCL-UHFFFAOYSA-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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Dicarboxylic acids logp 2.60 ALOGPS logs -3.37 ALOGPS solubility 1.30e-01 g/l ALOGPS logp 3.55 ChemAxon pka_strongest_acidic 4.51 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 7-hydroxyhexadecanedioic acid ChemAxon average_mass 302.4064 ChemAxon mono_mass 302.20932407 ChemAxon smiles OC(CCCCCCCCC(O)=O)CCCCCC(O)=O ChemAxon formula C16H30O5 ChemAxon inchi InChI=1S/C16H30O5/c17-14(11-7-5-9-13-16(20)21)10-6-3-1-2-4-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21) ChemAxon inchikey BNKCVLYEVLBHCL-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 80.42 ChemAxon polarizability 36.11 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24105 Specdb::CMs 45565 Specdb::CMs 161844 Specdb::MsMs 82527 Specdb::MsMs 82528 Specdb::MsMs 82529 Specdb::MsMs 143916 Specdb::MsMs 143917 Specdb::MsMs 143918 Specdb::MsMs 2395668 Specdb::MsMs 2395669 Specdb::MsMs 2395670 Specdb::MsMs 2539562 Specdb::MsMs 2539563 Specdb::MsMs 2539564 HMDB37830 #<Reference:0x000055ce3291a3d8> Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081