1.0 2016-09-30 23:14:19 UTC 2020-05-11 20:52:01 UTC BMDB0004981 BMDB04981 cis-4-Decenoic acid (Z)-4-Decenoic acid 10:1 (N-6) 4-Decenoic acid C10:1 (N-6) cis-Decen-4-saeure cis-Delta(4)-Decenoic acid cis-Obtusilic acid Dec-4C-enoic acid Dec-4C-ensaeure Z-4-Decenoic acid (Z)-4-Decenoate 4-Decenoate cis-delta(4)-Decenoate cis-Δ(4)-decenoate cis-Δ(4)-decenoic acid cis-Obtusilate Dec-4C-enoate Z-4-Decenoate cis-4-Decenoate (4Z)-4-Decenoic acid 4-cis-Decenoic acid FA(10:1(4Z)) FA(10:1n6) Obtusilic acid cis-4-Decenoic acid Dec-4-enoic acid (Z)-Isomer OF 4-decenoic acid C15H24N5O17P3 639.2956 639.038003903 (4Z)-dec-4-enoic acid 4-decenoic acid 505-90-8 NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(35-38(25,26)27)9(23)6(33-14)2-32-39(28,29)37-40(30,31)36-15-10(24)8(22)5(1-21)34-15/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 OCOLIMYIUOUURJ-ZQSHOCFMSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids 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 Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Aliphatic acyclic compounds Unsaturated fatty acids decenoic acid Liquid melting_point 4 - 5 °C logp 3.74 ALOGPS logs -3.00 ALOGPS logp 3.23 ChemAxon pka_strongest_acidic 4.88 ChemAxon iupac (4Z)-dec-4-enoic acid ChemAxon average_mass 639.2956 ChemAxon mono_mass 639.038003903 ChemAxon smiles NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O ChemAxon formula C15H24N5O17P3 ChemAxon inchi InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(35-38(25,26)27)9(23)6(33-14)2-32-39(28,29)37-40(30,31)36-15-10(24)8(22)5(1-21)34-15/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 ChemAxon inchikey OCOLIMYIUOUURJ-ZQSHOCFMSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 50.59 ChemAxon polarizability 20.34 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 25632 Specdb::CMs 38824 Specdb::CMs 174067 Specdb::MsMs 2415 Specdb::MsMs 2416 Specdb::MsMs 2417 Specdb::MsMs 322783 Specdb::MsMs 322784 Specdb::MsMs 322785 Specdb::MsMs 370786 Specdb::MsMs 370787 Specdb::MsMs 370788 Specdb::MsMs 2772551 Specdb::MsMs 2772552 Specdb::MsMs 2772553 Specdb::MsMs 2909288 Specdb::MsMs 2909289 Specdb::MsMs 2909290 Heart Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Skeletal Muscle Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 4471776 FDB002991 5312351 32380 7233 De Klein, W. J. Copper(II)-catalyzed formation of decenoic acids from manganese(III) acetate and 1-octene in acetic anhydride/acetic acid mixtures. Recueil des Travaux Chimiques des Pays-Bas (1975), 94(7), 151-3.