1.0 2016-09-30 22:46:06 UTC 2020-04-22 15:08:14 UTC BMDB0001445 BMDB01445 N-Acetyl-D-glucosaminyldiphosphodolichol N-Acetyl-D-glucosaminyl-diphosphodolichol N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-2-{[hydroxy({[hydroxy({[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxy})phosphoryl]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidate C23H43NO12P2 587.5345 587.226048869 {[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}({[hydroxy({[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxy})phosphoryl]oxy})phosphinic acid [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({hydroxy[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxyphosphoryl}oxy)phosphinic acid OC[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O InChI=1S/C23H43NO12P2/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-33-37(29,30)36-38(31,32)35-23-20(24-18(5)26)22(28)21(27)19(14-25)34-23/h8,10,17,19-23,25,27-28H,6-7,9,11-14H2,1-5H3,(H,24,26)(H,29,30)(H,31,32)/b16-10+/t17?,19-,20-,21-,22-,23+/m1/s1 OZGJPDIBINDRGZ-GKXPKBPWSA-N belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates N-acyl-alpha-hexosamines Acetamides Carbonyl compounds Hexoses Hydrocarbon derivatives Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organic pyrophosphates Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Secondary carboxylic acid amides Sesquiterpenoids Acetamide Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate Carbonyl group Carboxamide group Carboxylic acid derivative Farsesane sesquiterpenoid Hexose monosaccharide Hydrocarbon derivative Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-acyl-alpha-hexosamine Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phosphoric acid ester Primary alcohol Secondary alcohol Secondary carboxylic acid amide Sesquiterpenoid Aliphatic heteromonocyclic compounds Solid logp 1.30 ALOGPS logs -2.77 ALOGPS logp 1.54 ChemAxon pka_strongest_acidic 1.75 ChemAxon pka_strongest_basic -0.78 ChemAxon iupac {[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}({[hydroxy({[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxy})phosphoryl]oxy})phosphinic acid ChemAxon average_mass 587.5345 ChemAxon mono_mass 587.226048869 ChemAxon smiles OC[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O ChemAxon formula C23H43NO12P2 ChemAxon inchi InChI=1S/C23H43NO12P2/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-33-37(29,30)36-38(31,32)35-23-20(24-18(5)26)22(28)21(27)19(14-25)34-23/h8,10,17,19-23,25,27-28H,6-7,9,11-14H2,1-5H3,(H,24,26)(H,29,30)(H,31,32)/b16-10+/t17?,19-,20-,21-,22-,23+/m1/s1 ChemAxon inchikey OZGJPDIBINDRGZ-GKXPKBPWSA-N ChemAxon polar_surface_area 201.31 ChemAxon refractivity 139.28 ChemAxon polarizability 58.82 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -2 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::CMs 25799 Specdb::CMs 38077 Specdb::CMs 282803 Specdb::CMs 412223 Specdb::CMs 412224 Specdb::CMs 412225 Specdb::CMs 412226 Specdb::CMs 412227 Specdb::CMs 412228 Specdb::CMs 412229 Specdb::CMs 412230 Specdb::CMs 412231 Specdb::CMs 412232 Specdb::CMs 412233 Specdb::CMs 412234 Specdb::CMs 412235 Specdb::CMs 412236 Specdb::CMs 412237 Specdb::CMs 412238 Specdb::CMs 412239 Specdb::CMs 412240 Specdb::CMs 412241 Specdb::CMs 412242 Specdb::CMs 412243 Specdb::CMs 412244 Specdb::MsMs 323170 Specdb::MsMs 323171 Specdb::MsMs 323172 Specdb::MsMs 371263 Specdb::MsMs 371264 Specdb::MsMs 371265 Specdb::MsMs 2382548 Specdb::MsMs 2382549 Specdb::MsMs 2382550 Specdb::MsMs 2580138 Specdb::MsMs 2580139 Specdb::MsMs 2580140 FDB022628 10128137 11953837 C04500 1809448 6251 BMDBP00805 UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase Q5EA65 DPAGT1 Enzyme