1.0 2016-09-30 22:28:34 UTC 2020-05-11 20:36:50 UTC BMDB0000321 BMDB00321 2-Hydroxyadipic acid 2-Hydroxyadipate 2-Hydroxyhexanedioic acid 2-Hydroxyhexanedioate 2,3,4-Trideoxyhexarate 2,3,4-Trideoxyhexaric acid 2-Hydroxy-adipate 2-Hydroxy-adipic acid 2-Hydroxy-hexanedioate 2-Hydroxy-hexanedioic acid a-Hydroxyadipate a-Hydroxyadipic acid alpha-Hydroxyadipate alpha-Hydroxyadipic acid DL-2-Hydroxyadipate DL-2-Hydroxyadipic acid C6H10O5 162.1406 162.05282343 2-hydroxyhexanedioic acid α-hydroxyadipic acid 18294-85-4 OC(CCCC(O)=O)C(O)=O InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11) OTTXIFWBPRRYOG-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 Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Monosaccharides Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Medium-chain fatty acid Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds 2-hydroxydicarboxylic acid Dicarboxylic acids Solid logp -0.79 ALOGPS logs -0.36 ALOGPS logp -0.38 ChemAxon pka_strongest_acidic 3.44 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-hydroxyhexanedioic acid ChemAxon average_mass 162.1406 ChemAxon mono_mass 162.05282343 ChemAxon smiles OC(CCCC(O)=O)C(O)=O ChemAxon formula C6H10O5 ChemAxon inchi InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11) ChemAxon inchikey OTTXIFWBPRRYOG-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 34.23 ChemAxon polarizability 14.88 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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::NmrTwoD 1273 Specdb::MsIr 409 Specdb::MsIr 410 Specdb::MsIr 411 Specdb::CMs 1341 Specdb::CMs 24709 Specdb::CMs 31125 Specdb::CMs 37429 Specdb::CMs 162375 Specdb::CMs 1058385 Specdb::CMs 1058387 Specdb::CMs 1058389 Specdb::CMs 1058390 Specdb::CMs 1058392 Specdb::CMs 1058394 Specdb::CMs 1058395 Specdb::CMs 1058397 Specdb::CMs 1058399 Specdb::CMs 1058401 Specdb::CMs 1058403 Specdb::CMs 1058405 Specdb::CMs 1058407 Specdb::NmrOneD 1330 Specdb::NmrOneD 143470 Specdb::NmrOneD 143471 Specdb::NmrOneD 143472 Specdb::NmrOneD 143473 Specdb::NmrOneD 143474 Specdb::NmrOneD 143475 Specdb::NmrOneD 143476 Specdb::NmrOneD 143477 Specdb::NmrOneD 143478 Specdb::NmrOneD 143479 Specdb::NmrOneD 143480 Specdb::NmrOneD 143481 Specdb::NmrOneD 143482 Specdb::NmrOneD 143483 Specdb::NmrOneD 143484 Specdb::NmrOneD 143485 Specdb::NmrOneD 143486 Specdb::NmrOneD 143487 Specdb::NmrOneD 143488 Specdb::NmrOneD 143489 Specdb::MsMs 534 Specdb::MsMs 535 Specdb::MsMs 536 Specdb::MsMs 320698 Specdb::MsMs 320699 Specdb::MsMs 320700 Specdb::MsMs 368143 Specdb::MsMs 368144 Specdb::MsMs 368145 Specdb::MsMs 2227306 Specdb::MsMs 2227394 Specdb::MsMs 2229763 Specdb::MsMs 2325894 Specdb::MsMs 2325895 Specdb::MsMs 2325896 Specdb::MsMs 2612266 Specdb::MsMs 2612267 Specdb::MsMs 2612268 Placenta 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 167943 FDB021947 193530 C02360 17023 5310 Griot, Rudolf. a-Hydroxyadipic acid. Helvetica Chimica Acta (1958), 41 2236-41.