1.0 2010-04-08 22:09:55 UTC 2019-11-26 03:05:49 UTC FDB011951 (E)-3-Hexadecenoic acid Constituent of many plant systems including spinach leaves and red clover (Trifolium pratense). (E)-3-Hexadecenoic acid is found in tea, herbs and spices, and green vegetables. Cistanoside h C16H30O2 254.4082 254.224580204 (3Z)-hexadec-3-enoic acid (3Z)-hexadec-3-enoic acid 1686-10-8 CCCCCCCCCCCC\C=C/CC(O)=O InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h13-14H,2-12,15H2,1H3,(H,17,18)/b14-13- PCBKWKNYISJGPJ-YPKPFQOOSA-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 logp 6.99 ALOGPS logs -5.90 ALOGPS solubility 3.20e-04 g/l ALOGPS melting_point Mp 53-54° logp 5.89 ChemAxon pka_strongest_acidic 4.83 ChemAxon iupac (3Z)-hexadec-3-enoic acid ChemAxon average_mass 254.4082 ChemAxon mono_mass 254.224580204 ChemAxon smiles CCCCCCCCCCCC\C=C/CC(O)=O ChemAxon formula C16H30O2 ChemAxon inchi InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h13-14H,2-12,15H2,1H3,(H,17,18)/b14-13- ChemAxon inchikey PCBKWKNYISJGPJ-YPKPFQOOSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 78.2 ChemAxon polarizability 33.56 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13186 Specdb::CMs 43506 Specdb::CMs 158823 Specdb::MsMs 135624 Specdb::MsMs 135625 Specdb::MsMs 135626 Specdb::MsMs 2301504 Specdb::MsMs 2301505 Specdb::MsMs 2301506 Specdb::MsMs 75903 Specdb::MsMs 75904 Specdb::MsMs 75905 Specdb::MsMs 3064042 Specdb::MsMs 3064043 Specdb::MsMs 3064044 HMDB33791 #<Reference:0x000056127185d138> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442