1.0 2016-09-30 22:38:11 UTC 2020-05-11 20:48:09 UTC BMDB0000893 BMDB00893 Suberic acid 1,6-Dicarboxyhexane 1,6-Hexanedicarboxylic acid 1,8-Octanedioic acid Cork acid Hexamethylenedicarboxylic acid Korksaeure Octane-1,8-dioic acid Octanedioic acid Oktandisaeure Suberinsaeure 1,6-Hexanedicarboxylate 1,8-Octanedioate Hexamethylenedicarboxylate Octane-1,8-dioate Octanedioate Suberate Suberic acid, manganese (+2) (1:1) salt Suberic acid, disodium salt Suberic acid, cadmium (1:1) salt Suberic acid, monosodium salt Suberic acid, dipotassium salt Suberic acid C8H14O4 174.1944 174.089208936 octanedioic acid suberic acid 505-48-6 OC(=O)CCCCCCC(O)=O InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) TYFQFVWCELRYAO-UHFFFAOYSA-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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Medium-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Dicarboxylic acids Dicarboxylic acids alpha,omega-dicarboxylic acid Solid melting_point 144 °C water_solubility 11.9 mg/mL logp 1.00 ALOGPS logs -1.48 ALOGPS logp 1.38 ChemAxon pka_strongest_acidic 4.15 ChemAxon iupac octanedioic acid ChemAxon average_mass 174.1944 ChemAxon mono_mass 174.089208936 ChemAxon smiles OC(=O)CCCCCCC(O)=O ChemAxon formula C8H14O4 ChemAxon inchi InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) ChemAxon inchikey TYFQFVWCELRYAO-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 41.94 ChemAxon polarizability 18.41 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 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::MsIr 946 Specdb::MsIr 947 Specdb::MsIr 948 Specdb::MsMs 1256 Specdb::MsMs 1257 Specdb::MsMs 1258 Specdb::MsMs 4793 Specdb::MsMs 4794 Specdb::MsMs 4795 Specdb::MsMs 4796 Specdb::MsMs 4797 Specdb::MsMs 4798 Specdb::MsMs 4799 Specdb::MsMs 4800 Specdb::MsMs 4801 Specdb::MsMs 4802 Specdb::MsMs 4803 Specdb::MsMs 10952 Specdb::MsMs 10953 Specdb::MsMs 10954 Specdb::MsMs 17624 Specdb::MsMs 17625 Specdb::MsMs 17626 Specdb::MsMs 438423 Specdb::MsMs 438424 Specdb::MsMs 438425 Specdb::MsMs 438426 Specdb::MsMs 438427 Specdb::NmrTwoD 1529 Specdb::NmrOneD 1587 Specdb::NmrOneD 7902 Specdb::NmrOneD 7903 Specdb::NmrOneD 7904 Specdb::NmrOneD 7905 Specdb::NmrOneD 7906 Specdb::NmrOneD 7907 Specdb::NmrOneD 7908 Specdb::NmrOneD 7909 Specdb::NmrOneD 7910 Specdb::NmrOneD 7911 Specdb::NmrOneD 7912 Specdb::NmrOneD 7913 Specdb::NmrOneD 7914 Specdb::NmrOneD 7915 Specdb::NmrOneD 7916 Specdb::NmrOneD 7917 Specdb::NmrOneD 7918 Specdb::NmrOneD 7919 Specdb::NmrOneD 7920 Specdb::NmrOneD 7921 Specdb::CMs 667 Specdb::CMs 1371 Specdb::CMs 17263 Specdb::CMs 27643 Specdb::CMs 30121 Specdb::CMs 30695 Specdb::CMs 31256 Specdb::CMs 37828 Specdb::CMs 133373 Specdb::CMs 141107 Specdb::CMs 1081089 Specdb::CMs 1081090 Specdb::CMs 1081092 Prostate Tissue 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 FDB003340 10025 C08278 10457 9300 C00001204 CPD0-1264 Suberic_acid 4243 Ayorinde, Folahan O.; Osman, Gamal; Shepard, Robert L.; Powers, Fiona T. Synthesis of azelaic acid and suberic acid from Vernonia galamensis oil. JAOCS, J. Am. Oil Chem. Soc. (1988), 65(11), 1774-7.