1.0 2016-10-03 18:34:22 UTC 2020-04-22 15:49:06 UTC BMDB0012218 BMDB12218 Dolichyl beta-D-mannosyl phosphate Dolichyl b-D-mannosyl phosphate Dolichyl b-D-mannosyl phosphoric acid Dolichyl beta-D-mannosyl phosphoric acid Dolichyl β-D-mannosyl phosphate Dolichyl β-D-mannosyl phosphoric acid D-Mannopyranosyldolichyl Dolichyl mannopyranosyl phosphate Phosphate, dolichyl mannopyranosyl Alpha-D-Mannopyranosyl phosphate, dolichyl Dolichyl Alpha D mannopyranosyl phosphate Dolichyl Alpha-D-mannopyranosyl phosphate Mannopyranosyl phosphate, dolichyl Phosphate, dolichyl Alpha-D-mannopyranosyl Dolichol monophosphate mannose Dolicholphosphate mannose Mannolipid Mannose, dolichol monophosphate Mannose, dolicholphosphate Phosphoryl dolichol, mannosyl D Mannopyranosyldolichyl Dolichol, mannosyl phosphoryl Dolichyl mannosyl phosphate Mannosyl phosphate, dolichyl monoPhosphate mannose, dolichol Phosphate, dolichyl mannosyl b-D-Mannopyranose-1-ester with dolichol dihydrogen phosphate beta-D-Mannopyranose-1-ester with dolichol dihydrogen phosphate D-Mannose ester with dolichol dihydrogen phosphate Dolichyl D-mannosyl phosphate Dolichyl mannosyl mannolipid phosphate Dolichyl phosphate D-mannose Mannosyl phosphoryl dolichol {[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinate C86H143O9P 1352.024 1351.046972686 {[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid [(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphinic acid OC[C@H]1O[C@@H](OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O InChI=1S/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/b67-35+,68-37+,69-39+,70-41+,71-43+,72-45+,73-47+,74-49+,75-51+,76-53+,77-55+,78-57+,79-59+,80-61+/t81?,82-,83-,84+,85+,86+/m1/s1 YRJQNWAWJNIMPJ-HNEPGKAWSA-N belongs to the class of organic compounds known as dolichyl monophosphates. These are polyprenyl compounds consisting of a monophosphate group substituted by a dolichyl moiety. Organic compounds Lipids and lipid-like molecules Prenol lipids Polyprenols Dolichyl monophosphates Dialkyl phosphates Hexoses Hydrocarbon derivatives Monosaccharide phosphates Organic oxides Oxacyclic compounds Oxanes Polyols Polyprenyl monophosphates Polyterpenoids Primary alcohols Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate Dialkyl phosphate Dolichyl monophosphate Hexose monosaccharide Hydrocarbon derivative Monosaccharide Monosaccharide phosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phosphoric acid ester Polyol Polyprenyl monophosphate Polyterpenoid Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp 9.23 ALOGPS logs -6.32 ALOGPS logp 23.83 ChemAxon pka_strongest_acidic 1.62 ChemAxon pka_strongest_basic -3 ChemAxon iupac {[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid ChemAxon average_mass 1352.024 ChemAxon mono_mass 1351.046972686 ChemAxon smiles OC[C@H]1O[C@@H](OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C86H143O9P ChemAxon inchi InChI=1S/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/b67-35+,68-37+,69-39+,70-41+,71-43+,72-45+,73-47+,74-49+,75-51+,76-53+,77-55+,78-57+,79-59+,80-61+/t81?,82-,83-,84+,85+,86+/m1/s1 ChemAxon inchikey YRJQNWAWJNIMPJ-HNEPGKAWSA-N ChemAxon polar_surface_area 145.91 ChemAxon refractivity 426.74 ChemAxon polarizability 173.25 ChemAxon rotatable_bond_count 52 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 305203 Specdb::MsMs 305204 Specdb::MsMs 305205 Specdb::MsMs 348559 Specdb::MsMs 348560 Specdb::MsMs 348561 Specdb::MsMs 2381588 Specdb::MsMs 2381589 Specdb::MsMs 2381590 Specdb::MsMs 2580699 Specdb::MsMs 2580700 Specdb::MsMs 2580701 FDB028862 35032419 53481390 17624 CPD-171