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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate(3−)
ChEBI ID CHEBI:132211
ChEBI ASCII Name 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(3-)
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C74H122N2O22P3
Net Charge -3
Average Mass 1484.685
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)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
InChIKey VALAJJHDWQFMQN-YLMGTMOPSA-K
SMILES O(P(OP(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2NC(=O)C)O)OP(OC[C@@H](CO)O)([O-])=O)CO)CO)([O-])=O)([O-])=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
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
4-O-[(2R)-glycerylphospho]-N-acetyl-β-D-mannosaminyl-(1→4)-N-acetyl-α-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate UniProt
Manual Xref Database
CPD-5802 MetaCyc
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Last Modified
23 February 2017