1.0 2011-09-21 00:17:21 UTC 2015-07-21 06:57:17 UTC FDB022644 3,4-Dihydroxyphenylglycol O-sulfate 3, 4-Dihydroxyphenylglycol O-sulfate is a norepinephrine metabolite, a transmitter produced by sympathetic nerves, in particular those innervating mesenteric organs. This sulfate conjugate is produced by extrahepatic tissues (mesenteric organs) and eliminated by the kidneys. (PMID: 8627312) [HMDB] 3,4-Dihydroxyphenylethylene glycol sulfate 3,4-Dihydroxyphenylethylene glycol sulphate 3,4-Dihydroxyphenylglycol O-sulfate 3,4-Dihydroxyphenylglycol O-sulphate C8H10O7S 250.226 250.014723364 [4-(1,2-dihydroxyethyl)-2-hydroxyphenyl]oxidanesulfonic acid [4-(1,2-dihydroxyethyl)-2-hydroxyphenyl]oxidanesulfonic acid 3415-68-7 OCC(O)C1=CC(O)=C(OS(O)(=O)=O)C=C1 InChI=1S/C8H10O7S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,9-11H,4H2,(H,12,13,14) MFYFKAXYRXODPL-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Phenylsulfates Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Aromatic homomonocyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aromatic alcohols Hydrocarbon derivatives Organic oxides Phenoxy compounds Primary alcohols Secondary alcohols Sulfuric acid monoesters 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenoxy compound Phenylsulfate Primary alcohol Secondary alcohol Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Solid logp -1.56 ALOGPS logs -1.60 ALOGPS solubility 6.34e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic -2.3 ChemAxon pka_strongest_basic -3 ChemAxon iupac [4-(1,2-dihydroxyethyl)-2-hydroxyphenyl]oxidanesulfonic acid ChemAxon average_mass 250.226 ChemAxon mono_mass 250.014723364 ChemAxon smiles OCC(O)C1=CC(O)=C(OS(O)(=O)=O)C=C1 ChemAxon formula C8H10O7S ChemAxon inchi InChI=1S/C8H10O7S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,9-11H,4H2,(H,12,13,14) ChemAxon inchikey MFYFKAXYRXODPL-UHFFFAOYSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 52.79 ChemAxon polarizability 21.88 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21353 Specdb::CMs 38086 Specdb::CMs 168064 Specdb::NmrOneD 96218 Specdb::NmrOneD 96219 Specdb::NmrOneD 96220 Specdb::NmrOneD 96221 Specdb::NmrOneD 96222 Specdb::NmrOneD 96223 Specdb::NmrOneD 96224 Specdb::NmrOneD 96225 Specdb::NmrOneD 96226 Specdb::NmrOneD 96227 Specdb::NmrOneD 96228 Specdb::NmrOneD 96229 Specdb::NmrOneD 96230 Specdb::NmrOneD 96231 Specdb::NmrOneD 96232 Specdb::NmrOneD 96233 Specdb::NmrOneD 96234 Specdb::NmrOneD 96235 Specdb::NmrOneD 96236 Specdb::NmrOneD 96237 Specdb::MsMs 313501 Specdb::MsMs 313502 Specdb::MsMs 313503 Specdb::MsMs 359008 Specdb::MsMs 359009 Specdb::MsMs 359010 Specdb::MsMs 3054113 Specdb::MsMs 3054114 Specdb::MsMs 3054115 Specdb::MsMs 3116982 Specdb::MsMs 3116983 Specdb::MsMs 3116984 HMDB01474 #<Reference:0x000055ce30a7bcb0> #<Reference:0x000055ce30a7ba58> 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