1.0 2011-09-21 01:50:51 UTC 2015-07-21 06:59:38 UTC FDB029151 19-Oic-deoxycorticosterone 19-hydroxydeoxycorticosterone (19,21-dihydroxy-4-pregnen-3,20-dione), 19-oxo-deoxycorticosterone (21-hydroxy-4-pregnen-3,19,20-trione), and 19-oic-deoxycorticosterone (19-oic-21-hydroxy-4-pregnen-3,20-dione)are formed from precursor deoxycorticosterone by adrenal glands obtained from intact rats and from rats undergoing adrenal regeneration.rat adrenals have the enzymes required to convert deoxycorticosterone to 19-hydroxydeoxycorticosterone, 19-oxo-deoxycorticosterone, and 19-oic-deoxycorticosterone; however, rat adrenals do not convert deoxycorticosterone or any of the oxygenated metabolites to 19-nor-deoxycorticosterone (21-hydroxy-19-nor-4-pregnen-3,20-dione). It is possible, however, that 19-nor-deoxycorticosterone is formed at peripheral sites from the oxygenated deoxycorticosterone precursors [HMDB] 21-Hydroxy-3,20-dioxopregn-4-en-19-oate 21-Hydroxy-3,20-dioxopregn-4-en-19-oic acid 21-Hydroxy-3,20-dioxopregn-4-en-19-Oic acid anion C21H28O5 360.444 360.193674006 (2S,14S,15S)-14-(2-hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylic acid (2S,14S,15S)-14-(2-hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylic acid 81309-33-3 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)=O)C1CC[C@@H]2C(=O)CO InChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14?,15?,16?,17-,20+,21-/m1/s1 RUPOMAOZPOVHQZ-TTYNRZOGSA-N belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. 21-hydroxysteroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids Aliphatic homopolycyclic compounds 19-oxosteroids 20-oxosteroids 3-oxo delta-4-steroids Alpha-hydroxy ketones Carboxylic acids Cyclohexenones Delta-4-steroids Gluco/mineralocorticoids, progestogins and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols 19-oxosteroid 20-oxosteroid 21-hydroxysteroid 3-oxo-delta-4-steroid 3-oxosteroid Alcohol Aliphatic homopolycyclic compound Alpha-hydroxy ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Pregnane-skeleton Primary alcohol Progestogin-skeleton Solid logp 2.83 ALOGPS logs -3.81 ALOGPS solubility 5.53e-02 g/l ALOGPS logp 2.52 ChemAxon pka_strongest_acidic 4.25 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (2S,14S,15S)-14-(2-hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylic acid ChemAxon average_mass 360.444 ChemAxon mono_mass 360.193674006 ChemAxon smiles C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)=O)C1CC[C@@H]2C(=O)CO ChemAxon formula C21H28O5 ChemAxon inchi InChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14?,15?,16?,17-,20+,21-/m1/s1 ChemAxon inchikey RUPOMAOZPOVHQZ-TTYNRZOGSA-N ChemAxon polar_surface_area 91.67 ChemAxon refractivity 96.12 ChemAxon polarizability 38.97 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14604 Specdb::CMs 39975 Specdb::CMs 135203 Specdb::CMs 142937 Specdb::MsMs 298276 Specdb::MsMs 298277 Specdb::MsMs 298278 Specdb::MsMs 340009 Specdb::MsMs 340010 Specdb::MsMs 340011 Specdb::MsMs 2385500 Specdb::MsMs 2385501 Specdb::MsMs 2385502 Specdb::MsMs 2576265 Specdb::MsMs 2576266 Specdb::MsMs 2576267 HMDB12613