1.0 2011-09-21 00:15:32 UTC 2017-04-03 04:53:11 UTC FDB022537 1-Deoxy-D-xylulose 1-Deoxy-D-xylulose is a product of the splitting up of Pyridoxine (an intermediate in Vitamin B6 metabolism) into two components (the other one being 4-Hydroxy-L-threonine). (KEGG) [HMDB] 1-deoxy-xylulose C5H10O4 134.1305 134.057908808 (2S,3S,4R)-2-(hydroxymethyl)oxolane-3,4-diol 1-deoxy-xylulose 60299-43-6 OC[C@@H]1OC[C@@H](O)[C@@H]1O InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5+/m1/s1 KZVAAIRBJJYZOW-WISUUJSJSA-N belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Pentoses Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organoheterocyclic compound Oxacycle Pentose monosaccharide Primary alcohol Secondary alcohol Tetrahydrofuran Solid logp -1.98 ALOGPS logs 0.89 ALOGPS solubility 1.05e+03 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 12.88 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3S,4R)-2-(hydroxymethyl)oxolane-3,4-diol ChemAxon average_mass 134.1305 ChemAxon mono_mass 134.057908808 ChemAxon smiles OC[C@@H]1OC[C@@H](O)[C@@H]1O ChemAxon formula C5H10O4 ChemAxon inchi InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5+/m1/s1 ChemAxon inchikey KZVAAIRBJJYZOW-WISUUJSJSA-N ChemAxon polar_surface_area 69.92 ChemAxon refractivity 28.93 ChemAxon polarizability 12.64 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1186 Specdb::MsIr 1187 Specdb::MsIr 1188 Specdb::CMs 21577 Specdb::CMs 38010 Specdb::CMs 156176 Specdb::NmrOneD 147190 Specdb::NmrOneD 147191 Specdb::NmrOneD 147192 Specdb::NmrOneD 147193 Specdb::NmrOneD 147194 Specdb::NmrOneD 147195 Specdb::NmrOneD 147196 Specdb::NmrOneD 147197 Specdb::NmrOneD 147198 Specdb::NmrOneD 147199 Specdb::NmrOneD 147200 Specdb::NmrOneD 147201 Specdb::NmrOneD 147202 Specdb::NmrOneD 147203 Specdb::NmrOneD 147204 Specdb::NmrOneD 147205 Specdb::NmrOneD 147206 Specdb::NmrOneD 147207 Specdb::NmrOneD 147208 Specdb::NmrOneD 147209 Specdb::MsMs 27722 Specdb::MsMs 27723 Specdb::MsMs 27724 Specdb::MsMs 34280 Specdb::MsMs 34281 Specdb::MsMs 34282 Specdb::MsMs 2699890 Specdb::MsMs 2699891 Specdb::MsMs 2699892 Specdb::MsMs 3006249 Specdb::MsMs 3006250 Specdb::MsMs 3006251 HMDB01292 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823