Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:04:24 UTC
Update Date2022-08-12 20:09:27 UTC
Metabolite IDMMDBc0055756
Metabolite Identification
Common Namebeta-D-Glc-(1->3)-alpha-D-GlcNAc-di-trans,octa-cis-undecaprenyl diphosphate
Descriptionbeta-D-Glc-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol(2-), also known as b-D-GLC-(1->3)-a-D-glcnac-di-trans,octa-cis-undecaprenyl diphosphoric acid, belongs to the class of organic compounds known as polyprenyl phospho carbohydrates. These are polyprenyl phosphates with a carbohydrate moiety attached to it. Based on a literature review very few articles have been published on beta-D-Glc-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol(2-).
Structure
Synonyms
ValueSource
beta-D-GLC-(1->3)-alpha-D-glcnac-di-trans,octa-cis-undecaprenyl diphosphateChEBI
beta-D-GLC-(1->3)-alpha-D-glcnac-diphospho-ditrans,polycis-undecaprenol(2-)ChEBI
b-D-GLC-(1->3)-a-D-glcnac-di-trans,octa-cis-undecaprenyl diphosphateGenerator
b-D-GLC-(1->3)-a-D-glcnac-di-trans,octa-cis-undecaprenyl diphosphoric acidGenerator
beta-D-GLC-(1->3)-alpha-D-glcnac-di-trans,octa-cis-undecaprenyl diphosphoric acidGenerator
Β-D-GLC-(1->3)-α-D-glcnac-di-trans,octa-cis-undecaprenyl diphosphateGenerator
Β-D-GLC-(1->3)-α-D-glcnac-di-trans,octa-cis-undecaprenyl diphosphoric acidGenerator
b-D-GLC-(1->3)-a-D-glcnac-diphospho-ditrans,polycis-undecaprenol(2-)Generator
Β-D-GLC-(1->3)-α-D-glcnac-diphospho-ditrans,polycis-undecaprenol(2-)Generator
b-D-GLC-(1->3)-a-D-glcnac-diphospho-ditrans,octacis-undecaprenol(2-)Generator
Β-D-GLC-(1->3)-α-D-glcnac-diphospho-ditrans,octacis-undecaprenol(2-)Generator
Molecular FormulaC69H113NO17P2
Average Mass1290.602
Monoisotopic Mass1289.749472338
IUPAC NameN-[(2R,3R,4R,5S,6R)-5-hydroxy-2-{[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 phosphono]oxy})phosphoryl]oxy}-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanecarboximidate
Traditional NameN-[(2R,3R,4R,5S,6R)-5-hydroxy-2-{[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 phosphono]oxy)phosphoryl]oxy}-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanecarboximidate
CAS Registry NumberNot Available
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)O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]1([H])N=C(C)[O-])=C(\C)CCC=C(C)C
InChI Identifier
InChI=1S/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)67(64(75)61(47-72)83-68)85-69-66(77)65(76)63(74)60(46-71)84-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/p-2/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64-,65+,66-,67-,68-,69+/m1/s1
InChI KeyWZXSCLOEBAZOTJ-RDRPKIEGSA-L