1.0 2016-09-30 22:30:54 UTC 2020-05-11 22:27:59 UTC BMDB0000448 BMDB00448 Adipic acid 1,4-Butanedicarboxylic acid 1,6-Hexanedioic acid Adipinic acid Adipinsaeure e 355 e-355 e355 INS no. 355 Hexanedioate Hexan-1,6-dicarboxylate 1,4-Butanedicarboxylate 1,6-Hexanedioate Adipinate Hexanedioic acid Hexan-1,6-dicarboxylic acid Adipate Acifloctin Acinetten Adi-pure Adilactetten Kyselina adipova Molten adipate Molten adipic acid Adipic acid, calcium salt Adipic acid, disodium salt Sodium adipate Adipic acid, cu(+2) salt Adipic acid, cu(+2) salt (1:1) Adipic acid, diammonium salt Adipic acid, sodium salt Adipic acid, cu salt Adipic acid, potassium salt Ammonium adipate Magnesium adipate Adipic acid, MG salt (1:1) Adipic acid, monoammonium salt Adipic acid, nickel salt Diammonium adipate Adipic acid C6H10O4 146.1412 146.057908808 hexanedioic acid adipic acid 124-04-9 OC(=O)CCCCC(O)=O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-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 alpha,omega-dicarboxylic acid Solid melting_point 151 - 154 °C water_solubility 30.8 mg/mL at 34 °C logp 0.08 HANSCH,C ET AL. (1995) logp 0.13 ALOGPS logs -0.66 ALOGPS logp 0.49 ChemAxon pka_strongest_acidic 3.92 ChemAxon iupac hexanedioic acid ChemAxon average_mass 146.1412 ChemAxon mono_mass 146.057908808 ChemAxon smiles OC(=O)CCCCC(O)=O ChemAxon formula C6H10O4 ChemAxon inchi InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) ChemAxon inchikey WNLRTRBMVRJNCN-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 32.74 ChemAxon polarizability 14.24 ChemAxon rotatable_bond_count 5 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::EiMs 134 Specdb::NmrTwoD 1318 Specdb::CMs 550 Specdb::CMs 1194 Specdb::CMs 14713 Specdb::CMs 27641 Specdb::CMs 30035 Specdb::CMs 30474 Specdb::CMs 31146 Specdb::CMs 32027 Specdb::CMs 37542 Specdb::CMs 137806 Specdb::CMs 145540 Specdb::CMs 1062822 Specdb::CMs 1062823 Specdb::CMs 1062825 Specdb::MsIr 526 Specdb::MsIr 527 Specdb::MsIr 528 Specdb::NmrOneD 1232 Specdb::NmrOneD 1374 Specdb::NmrOneD 2205 Specdb::NmrOneD 2899 Specdb::NmrOneD 143950 Specdb::NmrOneD 143951 Specdb::NmrOneD 143952 Specdb::NmrOneD 143953 Specdb::NmrOneD 143954 Specdb::NmrOneD 143955 Specdb::NmrOneD 143956 Specdb::NmrOneD 143957 Specdb::NmrOneD 143958 Specdb::NmrOneD 143959 Specdb::NmrOneD 143960 Specdb::NmrOneD 143961 Specdb::NmrOneD 143962 Specdb::NmrOneD 143963 Specdb::NmrOneD 143964 Specdb::NmrOneD 143965 Specdb::NmrOneD 143966 Specdb::NmrOneD 143967 Specdb::NmrOneD 143968 Specdb::NmrOneD 143969 Specdb::NmrOneD 166505 Specdb::MsMs 653 Specdb::MsMs 654 Specdb::MsMs 655 Specdb::MsMs 4058 Specdb::MsMs 4059 Specdb::MsMs 4060 Specdb::MsMs 4061 Specdb::MsMs 4062 Specdb::MsMs 4063 Specdb::MsMs 298519 Specdb::MsMs 298520 Specdb::MsMs 298521 Specdb::MsMs 340297 Specdb::MsMs 340298 Specdb::MsMs 340299 Specdb::MsMs 437198 Specdb::MsMs 437199 Specdb::MsMs 437200 Specdb::MsMs 437201 Specdb::MsMs 437202 Specdb::MsMs 438621 Specdb::MsMs 2235757 Specdb::MsMs 2237606 Specdb::MsMs 2237921 Specdb::MsMs 2239004 Kidney 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 Ruminal Fluid Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 FDB008309 191 C06104 196 30832 C00001178 ADIPATE Adipic_acid 115 Saito, Kenji. Recovery of adipic acid. Jpn. Kokai Tokkyo Koho (1976), 5 pp.