1.0 2016-09-30 23:19:40 UTC 2020-04-22 15:16:41 UTC BMDB0006024 BMDB06024 Mevalonolactone Mevalonolactone, also known as divalonic acid, belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Mevalonolactone is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+/-) tetrahydro-4-hydroxy-4-methyl-2H-pyran-2-one (1)-tetrahydro-4-Hydroxy-4-methyl-2H-pyran-2-one Divalonic acid DL-Mevalonic acid lactone DL-Mevalonolactone Mevalonic acid lactone tetrahydro-4-Hydroxy-4-methyl-2H-pyran-2-one Mevalonolactone, (+-)-isomer Mevalonolactone, (S)-isomer Mevalonolactone, 3-(14)C-labeled Mevalonolactone, (R)-isomer C6H10O3 130.1418 130.062994186 (4S)-4-hydroxy-4-methyloxan-2-one (4S)-4-hydroxy-4-methyloxan-2-one 503-48-0 C[C@]1(O)CCOC(=O)C1 InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1 JYVXNLLUYHCIIH-LURJTMIESA-N belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Organic compounds Organoheterocyclic compounds Lactones Delta valerolactones Delta valerolactones Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Tertiary alcohols Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Tertiary alcohol Aliphatic heteromonocyclic compounds Solid logp -0.14 ALOGPS logs 0.38 ALOGPS logp -0.43 ChemAxon pka_strongest_acidic 14.71 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (4S)-4-hydroxy-4-methyloxan-2-one ChemAxon average_mass 130.1418 ChemAxon mono_mass 130.062994186 ChemAxon smiles C[C@]1(O)CCOC(=O)C1 ChemAxon formula C6H10O3 ChemAxon inchi InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1 ChemAxon inchikey JYVXNLLUYHCIIH-LURJTMIESA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 31.02 ChemAxon polarizability 12.75 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 87447 Specdb::MsMs 87448 Specdb::MsMs 87449 Specdb::MsMs 149955 Specdb::MsMs 149956 Specdb::MsMs 149957 Specdb::MsMs 2235679 Specdb::MsMs 2237701 Specdb::MsMs 2237751 Specdb::MsMs 2239805 Specdb::MsMs 2239907 Specdb::MsMs 2241818 Specdb::MsMs 2464569 Specdb::MsMs 2464570 Specdb::MsMs 2464571 Specdb::MsMs 2500952 Specdb::MsMs 2500953 Specdb::MsMs 2500954 Specdb::NmrTwoD 1968 Specdb::CMs 12836 Specdb::CMs 38936 Specdb::CMs 135468 Specdb::CMs 143202 Specdb::NmrOneD 2034 Specdb::NmrOneD 61452 Specdb::NmrOneD 61453 Specdb::NmrOneD 61454 Specdb::NmrOneD 61455 Specdb::NmrOneD 61456 Specdb::NmrOneD 61457 Specdb::NmrOneD 61458 Specdb::NmrOneD 61459 Specdb::NmrOneD 61460 Specdb::NmrOneD 61461 Specdb::NmrOneD 61462 Specdb::NmrOneD 61463 Specdb::NmrOneD 61464 Specdb::NmrOneD 61465 Specdb::NmrOneD 61466 Specdb::NmrOneD 61467 Specdb::NmrOneD 61468 Specdb::NmrOneD 61469 Specdb::NmrOneD 61470 Specdb::NmrOneD 61471 Specdb::MsIr 2338 Specdb::MsIr 2339 Specdb::MsIr 2340 Milk Fermented milk, by capillary electrophoresis-TOFMS Hagi T, Kobayashi M, Nomura M: Metabolome analysis of milk fermented by gamma-aminobutyric acid-producing Lactococcus lactis. J Dairy Sci. 2016 Feb;99(2):994-1001. doi: 10.3168/jds.2015-9945. Epub 2015 Dec 10. 26686724 FDB023804 4483406 5325923 Hagi T, Kobayashi M, Nomura M: Metabolome analysis of milk fermented by gamma-aminobutyric acid-producing Lactococcus lactis. J Dairy Sci. 2016 Feb;99(2):994-1001. doi: 10.3168/jds.2015-9945. Epub 2015 Dec 10. 26686724