1.0 2011-09-21 01:52:55 UTC 2015-07-21 06:59:40 UTC FDB029269 Psychosine sulfate psychosine sulfate is a intermediate in the biosynthesis of cerebrosides. It is one of the products involved in the reaction of 3'-phosphoadenylyl sulfate with galactosylsphingosine catalyzed by psychosine sulfotransferase, and the other product is ADP respectively. [HMDB] C24H47NO10S 541.696 541.292067419 {[(2S,4R,5S,6S)-6-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid [(2S,4R,5S,6S)-6-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[C@H]1O[C@@H](COS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20-,21?,22+,23-,24-/m0/s1 UIEYIJKBVSNMMH-BHEXUNOXSA-N belongs to the class of organic compounds known as glycosphingolipids. These are sphingolipids containing a saccharide moiety glycosidically attached to the sphingoid base. Although saccharide moieties are mostly O-glycosidically linked to the ceramide moiety, other sphingolipids with glycosidic bonds of other types (e.g. S-,C-, or N-type) has been reported. Glycosphingolipids Organic compounds Lipids and lipid-like molecules Sphingolipids Glycosphingolipids Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Alkyl sulfates Fatty acyl glycosides of mono- and disaccharides Hexoses Hydrocarbon derivatives Monoalkylamines Monosaccharide sulfates O-glycosyl compounds Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Sulfuric acid monoesters Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Alkyl sulfate Amine Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosphingolipid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide Monosaccharide sulfate O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary aliphatic amine Primary amine Secondary alcohol Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Solid logp 1.69 ALOGPS logs -3.46 ALOGPS solubility 1.86e-01 g/l ALOGPS logp 1.84 ChemAxon pka_strongest_acidic -1.9 ChemAxon pka_strongest_basic 9.12 ChemAxon iupac {[(2S,4R,5S,6S)-6-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid ChemAxon average_mass 541.696 ChemAxon mono_mass 541.292067419 ChemAxon smiles CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[C@H]1O[C@@H](COS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O ChemAxon formula C24H47NO10S ChemAxon inchi InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20-,21?,22+,23-,24-/m0/s1 ChemAxon inchikey UIEYIJKBVSNMMH-BHEXUNOXSA-N ChemAxon polar_surface_area 189 ChemAxon refractivity 134.3 ChemAxon polarizability 59.34 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89271 Specdb::MsMs 89272 Specdb::MsMs 89273 Specdb::MsMs 152166 Specdb::MsMs 152167 Specdb::MsMs 152168 Specdb::MsMs 2723567 Specdb::MsMs 2723568 Specdb::MsMs 2723569 Specdb::MsMs 2954601 Specdb::MsMs 2954602 Specdb::MsMs 2954603 Specdb::CMs 40047 Specdb::CMs 265471 Specdb::CMs 265472 Specdb::CMs 265473 Specdb::CMs 265474 Specdb::CMs 265475 Specdb::CMs 265476 Specdb::CMs 265477 Specdb::CMs 265478 Specdb::CMs 265479 Specdb::CMs 265480 Specdb::CMs 265481 Specdb::CMs 265482 Specdb::CMs 265483 Specdb::CMs 265484 Specdb::CMs 265485 Specdb::CMs 265486 Specdb::CMs 265487 Specdb::CMs 265488 Specdb::CMs 265489 Specdb::CMs 265490 Specdb::CMs 265491 Specdb::CMs 265492 Specdb::CMs 265493 Specdb::CMs 265494 HMDB13046 17507