1.0 2011-09-21 01:46:56 UTC 2015-07-21 06:59:34 UTC FDB028895 Mannosyl-diinositol-phosphorylceramide Mannosyl-diinositol-phosphorylceramide is involved in sphingolipid metabolism. Mannosyl-inositol-phosphorylceramide reacts with inositol phosphate to produce mannosyl-diinositol-phosphorylceramide and H2O. [HMDB] Mannose-(inositol ate)2-ceramide Mannose-(inositol phosphate)2-ceramide MIP2C C62H121NO26P2 1358.5628 1357.765206073 {[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(4-{[3,4-dihydroxy-5-({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxycyclohexyl)oxy]phosphinic acid [3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy({4-[(3,4-dihydroxy-5-{[hydroxy(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-2,3,5,6-tetrahydroxycyclohexyl}oxy)phosphinic acid CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(OP(O)(=O)OC3C(O)C(O)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC InChI=1S/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(66)61(79)63-41(45(67)42(65)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-84-90(80,81)88-60-53(75)51(73)58(52(74)54(60)76)86-62-56(78)55(77)57(44(39-64)85-62)87-91(82,83)89-59-49(71)47(69)46(68)48(70)50(59)72/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83) CPMOABJYWXUZCM-UHFFFAOYSA-N belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. Phosphosphingolipids Organic compounds Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Carbonyl compounds Cyclohexanols Dialkyl phosphates Fatty acyl glycosides of mono- and disaccharides Hexose phosphates Hydrocarbon derivatives Inositol phosphates Monosaccharide phosphates N-acyl amines O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Phosphoethanolamines Polyols Primary alcohols Secondary carboxylic acid amides Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Alkyl phosphate Carbonyl group Carboxamide group Carboxylic acid derivative Cyclic alcohol Cyclitol or derivatives Cyclohexanol Dialkyl phosphate Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Fatty amide Glycosyl compound Hexose monosaccharide Hexose phosphate Hydrocarbon derivative Inositol phosphate Monosaccharide Monosaccharide phosphate N-acyl-amine O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Phosphoethanolamine Phosphoric acid ester Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Sphingoid-1-phosphate or derivatives Solid logp 3.90 ALOGPS logs -4.52 ALOGPS solubility 4.06e-02 g/l ALOGPS logp 5.78 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac {[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(4-{[3,4-dihydroxy-5-({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxycyclohexyl)oxy]phosphinic acid ChemAxon average_mass 1358.5628 ChemAxon mono_mass 1357.765206073 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(OP(O)(=O)OC3C(O)C(O)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC ChemAxon formula C62H121NO26P2 ChemAxon inchi InChI=1S/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(66)61(79)63-41(45(67)42(65)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-84-90(80,81)88-60-53(75)51(73)58(52(74)54(60)76)86-62-56(78)55(77)57(44(39-64)85-62)87-91(82,83)89-59-49(71)47(69)46(68)48(70)50(59)72/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83) ChemAxon inchikey CPMOABJYWXUZCM-UHFFFAOYSA-N ChemAxon polar_surface_area 462.53 ChemAxon refractivity 331.83 ChemAxon polarizability 151.88 ChemAxon rotatable_bond_count 52 ChemAxon acceptor_count 22 ChemAxon donor_count 18 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 2398674 Specdb::MsMs 2398675 Specdb::MsMs 2398676 Specdb::MsMs 2537450 Specdb::MsMs 2537451 Specdb::MsMs 2537452 HMDB12256 #<Reference:0x000055ce324357c8> #<Reference:0x000055ce32435610> #<Reference:0x000055ce32435458> #<Reference:0x000055ce324352a0> #<Reference:0x000055ce324350e8> 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 Acid ceramidase Q13510 ASAH1 Alkaline ceramidase 1 Q8TDN7 ACER1 Alkaline ceramidase 2 Q5QJU3 ACER2 Antigen-presenting glycoprotein CD1d P15813 CD1D Beta-1,3-galactosyltransferase 5 Q9Y2C3 B3GALT5 Ceramide glucosyltransferase Q16739 UGCG Ceramide synthase 1 P27544 CERS1 Collagen type IV alpha-3-binding protein Q9Y5P4 COL4A3BP Epididymal secretory protein E1 P61916 NPC2 Galactocerebrosidase P54803 GALC Ganglioside GM2 activator P17900 GM2A Glucosylceramidase P04062 GBA GPI ethanolamine phosphate transferase 1 O95427 PIGN GPI ethanolamine phosphate transferase 2 Q5H8A4 PIGG GPI ethanolamine phosphate transferase 3 Q8TEQ8 PIGO GPI mannosyltransferase 1 Q9H3S5 PIGM GPI mannosyltransferase 2 Q9NUD9 PIGV GPI mannosyltransferase 3 Q92521 PIGB GPI mannosyltransferase 4 Q86VD9 PIGZ GPI transamidase component PIG-S Q96S52 PIGS GPI transamidase component PIG-T Q969N2 PIGT GPI-anchor transamidase Q92643 PIGK Lactosylceramide 1,3-N-acetyl-beta-D-glucosaminyltransferase Q9BYG0 B3GNT5 N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase Q9Y2B2 PIGL Neutral ceramidase Q9NR71 ASAH2 Non-lysosomal glucosylceramidase Q9HCG7 GBA2 Phosphatidylinositol glycan anchor biosynthesis class U protein Q9H490 PIGU Phosphatidylinositol N-acetylglucosaminyltransferase subunit A P37287 PIGA Phosphatidylinositol N-acetylglucosaminyltransferase subunit C Q92535 PIGC Phosphatidylinositol N-acetylglucosaminyltransferase subunit H Q14442 PIGH Phosphatidylinositol N-acetylglucosaminyltransferase subunit P P57054 PIGP Phosphatidylinositol N-acetylglucosaminyltransferase subunit Q Q9BRB3 PIGQ Phosphatidylinositol N-acetylglucosaminyltransferase subunit Y Q3MUY2 PIGY Phosphatidylinositol-glycan biosynthesis class F protein Q07326 PIGF Phosphatidylinositol-glycan biosynthesis class W protein Q7Z7B1 PIGW Phosphatidylinositol-glycan biosynthesis class X protein Q8TBF5 PIGX Putative neutral ceramidase C P0C7U2 ASAH2C Sphingomyelin phosphodiesterase P17405 SMPD1 T-cell surface glycoprotein CD1e, membrane-associated P15812 CD1E