Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:23:13 UTC
Update Date2022-08-12 20:09:41 UTC
Metabolite IDMMDBc0056340
Metabolite Identification
Common Nametri-trans,hepta-cis-undecaprenyl diphosphate
Descriptiontri-trans,poly-cis-undecaprenyl diphosphate(3-) belongs to the class of organic compounds known as bactoprenol diphosphates. These are polyprenyl compounds consisting of a diphosphate group substituted by a bactoprenyl moiety. Based on a literature review very few articles have been published on tri-trans,poly-cis-undecaprenyl diphosphate(3-).
Structure
Synonyms
ValueSource
Tri-trans,hepta-cis-undecaprenyl diphosphateChEBI
Tri-trans,poly-cis-undecaprenyl diphosphate trianionChEBI
Tri-trans,hepta-cis-undecaprenyl diphosphoric acidGenerator
Tri-trans,poly-cis-undecaprenyl diphosphoric acid trianionGenerator
Tri-trans,poly-cis-undecaprenyl diphosphoric acid(3-)Generator
Molecular FormulaC55H89O7P2
Average Mass924.259
Monoisotopic Mass923.609999942
IUPAC Name{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,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}phosphonate
Traditional Name[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,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]oxyphosphonate
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(\C)CCC=C(C)C
InChI Identifier
InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/p-3/b46-25+,47-27+,48-29+,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-
InChI KeyNTXGVHCCXVHYCL-RTRZQXHFSA-K