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CHEBI:132211 - 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate(3−)

ChEBI IDCHEBI:132211
ChEBI Name4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate(3−)
Stars
ASCII Name4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate and diphosphate functions of 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate; major species at pH 7.3.
Last Modified23 February 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC74H122N2O22P3
Net Charge-3
Average Mass1484.704
Monoisotopic Mass1483.77185
SMILESCC(=O)N[C@H]1[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](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])OC[C@H](O)CO)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
InChIInChI=1S/C74H125N2O22P3/c1-51(2)25-15-26-52(3)27-16-28-53(4)29-17-30-54(5)31-18-32-55(6)33-19-34-56(7)35-20-36-57(8)37-21-38-58(9)39-22-40-59(10)41-23-42-60(11)43-24-44-61(12)45-46-91-100(87,88)98-101(89,90)97-74-68(76-63(14)81)69(83)71(65(48-78)94-74)95-73-67(75-62(13)80)70(84)72(66(49-79)93-73)96-99(85,86)92-50-64(82)47-77/h25,27,29,31,33,35,37,39,41,43,45,64-74,77-79,82-84H,15-24,26,28,30,32,34,36,38,40,42,44,46-50H2,1-14H3,(H,75,80)(H,76,81)(H,85,86)(H,87,88)(H,89,90)/p-3/b52-27+,53-29+,54-31-,55-33-,56-35-,57-37-,58-39-,59-41-,60-43-,61-45-/t64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,74-/m1/s1
InChIKeyVALAJJHDWQFMQN-YLMGTMOPSA-K
ChEBI Ontology
Outgoing Relation(s)
4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate(3−) (CHEBI:132211) is a organophosphate oxoanion (CHEBI:58945)
4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate(3−) (CHEBI:132211) is conjugate base of 4-O-[(2R)-1-glycerylphosphono]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate (CHEBI:132877)
Incoming Relation(s)
4-O-[(2R)-1-glycerylphosphono]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate (CHEBI:132877) is conjugate acid of 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate(3−) (CHEBI:132211)
IUPAC Name 
2-acetamido-4-O-(2-acetamido-2-deoxy-4-O-{[(2R)-2,3-dihydroxypropoxy]phosphinato}-β-D-glucopyranosyl)-2-deoxy-1-O-{[({[(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}phosphinato)oxy]phosphinato}-α-D-glucopyranose
Synonym  Source
4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate(3−)ChEBI
UniProt Name  Source
4-O-[(2R)-glycerylphospho]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphateUniProt
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