CHEBI:64879 - 6-O-(1-glycerylphosphonato)-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl undecaprenyl diphosphate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-O-(1-glycerylphosphonato)-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl undecaprenyl diphosphate(3−)
ChEBI ID CHEBI:64879
ChEBI ASCII Name 6-O-(1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl undecaprenyl diphosphate(3-)
Definition A triply-charged organophosphate oxoanion obtained by deprotonation of the free phosphate and diphosphate OH groups of 6-O-(1-glycerylphospho)-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl undecaprenyl diphosphate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
Download Molfile XML SDF
Formula C74H122N2O22P3
Net Charge -3
Average Mass 1484.68200
Monoisotopic Mass 1483.77186
InChI InChI=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)80)71(84)72(65(48-78)94-74)96-73-67(75-62(13)79)70(83)69(82)66(95-73)50-93-99(85,86)92-49-64(81)47-77/h25,27,29,31,33,35,37,39,41,43,45,64-74,77-78,81-84H,15-24,26,28,30,32,34,36,38,40,42,44,46-50H2,1-14H3,(H,75,79)(H,76,80)(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
InChIKey XBAAEKNACXMQRG-SJVIKZLLSA-K
SMILES CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](COP([O-])(=O)OCC(O)CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]1CO)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
ChEBI Ontology
Outgoing 6-O-(1-glycerylphosphonato)-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl undecaprenyl diphosphate(3−) (CHEBI:64879) is a organophosphate oxoanion (CHEBI:58945)
6-O-(1-glycerylphosphonato)-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl undecaprenyl diphosphate(3−) (CHEBI:64879) is conjugate base of 6-O-(1-glycerylphospho)-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate (CHEBI:64892)
Incoming 6-O-(1-glycerylphospho)-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate (CHEBI:64892) is conjugate acid of 6-O-(1-glycerylphosphonato)-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl undecaprenyl diphosphate(3−) (CHEBI:64879)
IUPAC Name
2-acetamido-4-O-{2-acetamido-2-deoxy-6-O-[(2,3-dihydroxypropoxy)phosphinato]-β-D-mannopyranosyl}-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}-β-D-glucopyranose
Synonym Source
prenyl-P-P-GlcNAc-ManNAc-P-Gro MetaCyc
Manual Xref Database
CPD-5802 MetaCyc
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Last Modified
16 June 2016