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CHEBI:136078 - 4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate

ChEBI IDCHEBI:136078
ChEBI Name4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate
Stars
ASCII Name4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate
DefinitionA polyprenyl glycosyl diphosphate having eleven prenyl units and with 4-O-[di(2R)-1-glycerylphosphono]--N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosamine as the glycosyl fragment.
Last Modified4 December 2018
SubmitterSteve
DownloadsMolfile
FormulaC77H132N2O27P4
Net Charge0
Average Mass1641.786
Monoisotopic Mass1640.79679
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](OP(=O)(O)OP(=O)(O)OC/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)O[C@@H]2CO)O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO)[C@@H]1O
InChIInChI=1S/C77H132N2O27P4/c1-53(2)25-15-26-54(3)27-16-28-55(4)29-17-30-56(5)31-18-32-57(6)33-19-34-58(7)35-20-36-59(8)37-21-38-60(9)39-22-40-61(10)41-23-42-62(11)43-24-44-63(12)45-46-97-109(93,94)106-110(95,96)105-77-71(79-65(14)84)72(87)74(68(48-81)102-77)103-76-70(78-64(13)83)73(88)75(69(49-82)101-76)104-108(91,92)100-52-67(86)51-99-107(89,90)98-50-66(85)47-80/h25,27,29,31,33,35,37,39,41,43,45,66-77,80-82,85-88H,15-24,26,28,30,32,34,36,38,40,42,44,46-52H2,1-14H3,(H,78,83)(H,79,84)(H,89,90)(H,91,92)(H,93,94)(H,95,96)/b54-27+,55-29+,56-31-,57-33-,58-35-,59-37-,60-39-,61-41-,62-43-,63-45-/t66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76+,77-/m1/s1
InChIKeyXTZSKDGCELJMAX-RVJRVLLYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate (CHEBI:136078) is a polyprenyl phospho oligosaccharide (CHEBI:26186)
4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate (CHEBI:136078) is conjugate acid of 4-O-[di(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate(4−) (CHEBI:133867)
Incoming Relation(s)
4-O-[di(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate(4−) (CHEBI:133867) is conjugate base of 4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate (CHEBI:136078)
IUPAC Name 
2-acetamido-4-O-(2-acetamido-2-deoxy-4-O-{[(2R)-3-({[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy](hydroxy)phosphoryl}-β-D-mannoopyranosyl)-2-deoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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]oxy}phosphoryl)oxy]phosphoryl}-α-D-glucopyranose
Synonym  Source
4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl ditrans,octacis-diphosphateChEBI
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