Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:10:31 UTC
Update Date2022-08-12 20:09:28 UTC
Metabolite IDMMDBc0055911
Metabolite Identification
Common Namedi-trans,octa-cis-undecaprenyl phosphate
Descriptiondi-trans,octa-cis-Undecaprenyl phosphate belongs to the class of organic compounds known as bactoprenol monophosphates. These are polyprenyl compounds consisting of a monophosphate group substituted by a bactoprenyl moiety. Based on a literature review very few articles have been published on di-trans,octa-cis-Undecaprenyl phosphate.
Structure
Synonyms
ValueSource
Ditrans,polycis-undecaprenyl phosphate dianionChEBI
Ditrans,polycis-undecaprenyl phosphoric acid dianionGenerator
Di-trans,octa-cis-undecaprenyl phosphoric acidGenerator
Molecular FormulaC55H89O4P
Average Mass845.288
Monoisotopic Mass844.650945504
IUPAC Name(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 phosphate
Traditional Name(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 phosphate
CAS Registry NumberNot Available
SMILES
[H]\C(CC\C(C)=C(/[H])CCC(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-])=O)=C(\C)CCC=C(C)C
InChI Identifier
InChI=1S/C55H91O4P/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)43-44-59-60(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,(H2,56,57,58)/p-2/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-
InChI KeyUFPHFKCTOZIAFY-NTDVEAECSA-L