1.0 2011-09-21 00:06:13 UTC 2015-07-21 06:56:54 UTC FDB021969 3-Deoxyarabinohexonic acid 3-Deoxyarabinohexonic acid is an organic acid that has been identified in serum from a series of uremic patients. The characterization procedure calls for gas chromatographic profiling of components in ultrafiltrated uremic serum using glass capillary columns and appropriate sample pretreatment and derivatization. (PMID: 541389, 534687) [HMDB] (2S,4S,5R)-2,4,5,6-tetrahydroxyhexanoate (2S,4S,5R)-2,4,5,6-tetrahydroxyhexanoic acid 3-Deoxy-arabino-hexonate 3-Deoxy-arabino-hexonic acid 3-Deoxy-D-arabino-hexonic acid 3-Deoxyarabino-hexonic acid 3-Deoxyarabinohexonate arabino-3-Deoxyhexonate arabino-3-Deoxyhexonic acid D-2-keto-3-deoxygluconate C6H12O6 180.1559 180.063388116 (2S,4S,5R)-2,4,5,6-tetrahydroxyhexanoic acid 3-deoxy-arabinohexonic acid 29625-79-4 OC[C@@H](O)[C@@H](O)C[C@H](O)C(O)=O InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1 YGMNHEPVTNXLLS-VAYJURFESA-N belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Medium-chain hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Aliphatic acyclic compounds Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Solid logp -2.46 ALOGPS logs 0.15 ALOGPS solubility 2.55e+02 g/l ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 3.57 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,4S,5R)-2,4,5,6-tetrahydroxyhexanoic acid ChemAxon average_mass 180.1559 ChemAxon mono_mass 180.063388116 ChemAxon smiles OC[C@@H](O)[C@@H](O)C[C@H](O)C(O)=O ChemAxon formula C6H12O6 ChemAxon inchi InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1 ChemAxon inchikey YGMNHEPVTNXLLS-VAYJURFESA-N ChemAxon polar_surface_area 118.22 ChemAxon refractivity 37.17 ChemAxon polarizability 16.38 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 436 Specdb::MsIr 437 Specdb::MsIr 438 Specdb::NmrTwoD 1281 Specdb::NmrOneD 1339 Specdb::NmrOneD 143590 Specdb::NmrOneD 143591 Specdb::NmrOneD 143592 Specdb::NmrOneD 143593 Specdb::NmrOneD 143594 Specdb::NmrOneD 143595 Specdb::NmrOneD 143596 Specdb::NmrOneD 143597 Specdb::NmrOneD 143598 Specdb::NmrOneD 143599 Specdb::NmrOneD 143600 Specdb::NmrOneD 143601 Specdb::NmrOneD 143602 Specdb::NmrOneD 143603 Specdb::NmrOneD 143604 Specdb::NmrOneD 143605 Specdb::NmrOneD 143606 Specdb::NmrOneD 143607 Specdb::NmrOneD 143608 Specdb::NmrOneD 143609 Specdb::NmrOneD 166617 Specdb::CMs 6637 Specdb::CMs 37450 Specdb::CMs 150777 Specdb::CMs 1059100 Specdb::CMs 1059102 Specdb::CMs 1059104 Specdb::CMs 1059106 Specdb::CMs 1059107 Specdb::CMs 1059109 Specdb::CMs 1059111 Specdb::CMs 1059113 Specdb::CMs 1059115 Specdb::CMs 1059116 Specdb::CMs 1059118 Specdb::CMs 1059120 Specdb::CMs 1059121 Specdb::CMs 1059123 Specdb::CMs 1059125 Specdb::CMs 1059127 Specdb::CMs 1059129 Specdb::CMs 1059131 Specdb::CMs 1059133 Specdb::CMs 1059134 Specdb::CMs 1059136 Specdb::CMs 1059138 Specdb::MsMs 248841 Specdb::MsMs 248842 Specdb::MsMs 248843 Specdb::MsMs 268782 Specdb::MsMs 268783 Specdb::MsMs 268784 Specdb::MsMs 2382107 Specdb::MsMs 2382108 Specdb::MsMs 2382109 Specdb::MsMs 2579832 Specdb::MsMs 2579833 Specdb::MsMs 2579834 HMDB00346 SSH #<Reference:0x000055ce2f35ae78> #<Reference:0x000055ce2f35a310> 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