2.0 2012-07-30 14:55:24 -0600 2015-06-03 17:21:13 -0600 ECMDB21353 M2MDB001751 Rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate Rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate belongs to the class of Polyterpenes. These are terpenes consisting of more than eight isoprene units. Rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate Rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphoric acid C69H113NO16P2 1274.5801 1273.753459597 N-(5-hydroxy-2-{[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl phosphonato]oxy})phosphoryl]oxy}-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)ethanecarboximidate N-[5-hydroxy-2-({hydroxy[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl phosphonato]oxyphosphoryl}oxy)-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]ethanecarboximidate [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])COP([O-])(=O)OP(O)(=O)OC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1N=C(C)[O-])=C(\C)CCC=C(C)C InChI=1S/C69H115NO16P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-81-87(77,78)86-88(79,80)85-68-62(70-60(14)72)67(64(74)61(47-71)83-68)84-69-66(76)65(75)63(73)59(13)82-69/h25,27,29,31,33,35,37,39,41,43,45,59,61-69,71,73-76H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,70,72)(H,77,78)(H,79,80)/p-2/b49-27+,50-29+,51-31+,52-33+,53-35+,54-37+,55-39+,56-41+,57-43+,58-45+ ORYXFVQODWYDMG-JXWMOMLFSA-L Membrane logp 7.55 ALOGPS logs -6.33 ALOGPS solubility 6.07e-04 g/l ALOGPS logp 14.67 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac N-(5-hydroxy-2-{[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl phosphonato]oxy})phosphoryl]oxy}-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)ethanecarboximidate ChemAxon average_mass 1274.5801 ChemAxon mono_mass 1273.753459597 ChemAxon smiles [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])COP([O-])(=O)OP(O)(=O)OC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1N=C(C)[O-])=C(\C)CCC=C(C)C ChemAxon formula C69H113NO16P2 ChemAxon inchi InChI=1S/C69H115NO16P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-81-87(77,78)86-88(79,80)85-68-62(70-60(14)72)67(64(74)61(47-71)83-68)84-69-66(76)65(75)63(73)59(13)82-69/h25,27,29,31,33,35,37,39,41,43,45,59,61-69,71,73-76H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,70,72)(H,77,78)(H,79,80)/p-2/b49-27+,50-29+,51-31+,52-33+,53-35+,54-37+,55-39+,56-41+,57-43+,58-45+ ChemAxon inchikey ORYXFVQODWYDMG-JXWMOMLFSA-L ChemAxon polar_surface_area 269.38 ChemAxon refractivity 371.22 ChemAxon polarizability 146.3 ChemAxon rotatable_bond_count 41 ChemAxon acceptor_count 14 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge -2 ChemAxon Specdb::MsMs 38447 Specdb::MsMs 38448 Specdb::MsMs 38449 Specdb::MsMs 40895 Specdb::MsMs 40896 Specdb::MsMs 40897 46173416 CPD0-2289 Putative lipopolysaccharide biosynthesis O-acetyl transferase wbbJ P37750 WBBJ_ECOLI wbbJ http://ecmdb.ca/proteins/P37750.xml Acetyl-CoA + Rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate > O-Acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate + Coenzyme A