1.0 2016-09-30 22:48:48 UTC 2020-05-05 18:40:16 UTC BMDB0001900 BMDB01900 Ribonolactone D-(+)-Ribonic acid gamma-lactone D-Ribonic acid-1,4-lactone D-Ribono-gamma-lactone D-Ribonolactone D-Ribopentono-1,4-lactone Ribono-gamma-lactone D-(+)-Ribonate g-lactone D-(+)-Ribonate gamma-lactone D-(+)-Ribonate γ-lactone D-(+)-Ribonic acid g-lactone D-(+)-Ribonic acid γ-lactone D-Ribonate-1,4-lactone D-Ribono-g-lactone D-Ribono-γ-lactone Ribono-g-lactone Ribono-γ-lactone D(+)-Ribonic acid gamma-lactone D-(+)-Ribonone-1.4-lactone D-ribono-1,4-Lactone delta-(+)-Ribonic acid g-lactone delta-(+)-Ribonic acid gamma-lactone delta-(+)-Ribonone-1.4-lactone delta-ribono-1,4-Lactone delta-ribono-gamma-Lactone delta-Ribonolactone delta-ribopentono-1,4-Lactone Deoxyribonolactone gamma-Lactone OF ribonate gamma-Lactone OF ribonic acid gamma-Lactone-ribonate gamma-Lactone-ribonic acid Ribonolactone C5H8O5 148.114 148.037173366 (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one D-ribosone 5336-08-3 OC[C@H]1OC(=O)[C@H](O)[C@@H]1O InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4-/m1/s1 CUOKHACJLGPRHD-BXXZVTAOSA-N belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Pentoses Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organoheterocyclic compound Oxacycle Pentose monosaccharide Primary alcohol Secondary alcohol Tetrahydrofuran Aliphatic heteromonocyclic compounds butan-4-olide ribonolactone Solid melting_point 83 - 85 °C logp -1.98 ALOGPS logs 0.76 ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 11.63 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one ChemAxon average_mass 148.114 ChemAxon mono_mass 148.037173366 ChemAxon smiles OC[C@H]1OC(=O)[C@H](O)[C@@H]1O ChemAxon formula C5H8O5 ChemAxon inchi InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4-/m1/s1 ChemAxon inchikey CUOKHACJLGPRHD-BXXZVTAOSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 28.82 ChemAxon polarizability 12.8 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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 1816 Specdb::MsMs 1817 Specdb::MsMs 1818 Specdb::MsMs 305563 Specdb::MsMs 305564 Specdb::MsMs 305565 Specdb::MsMs 348997 Specdb::MsMs 348998 Specdb::MsMs 348999 Specdb::MsMs 2738599 Specdb::MsMs 2738600 Specdb::MsMs 2738601 Specdb::MsMs 2971155 Specdb::MsMs 2971156 Specdb::MsMs 2971157 Specdb::NmrTwoD 1730 Specdb::MsIr 1460 Specdb::MsIr 1461 Specdb::MsIr 1462 Specdb::CMs 1355 Specdb::CMs 17866 Specdb::CMs 31371 Specdb::CMs 31883 Specdb::CMs 38177 Specdb::CMs 135638 Specdb::CMs 143372 Specdb::NmrOneD 1790 Specdb::NmrOneD 9882 Specdb::NmrOneD 9883 Specdb::NmrOneD 9884 Specdb::NmrOneD 9885 Specdb::NmrOneD 9886 Specdb::NmrOneD 9887 Specdb::NmrOneD 9888 Specdb::NmrOneD 9889 Specdb::NmrOneD 9890 Specdb::NmrOneD 9891 Specdb::NmrOneD 9892 Specdb::NmrOneD 9893 Specdb::NmrOneD 9894 Specdb::NmrOneD 9895 Specdb::NmrOneD 9896 Specdb::NmrOneD 9897 Specdb::NmrOneD 9898 Specdb::NmrOneD 9899 Specdb::NmrOneD 9900 Specdb::NmrOneD 9901 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 99702 FDB022728 C02674 111064 74168 CPD-13413 6380