Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:36:46 UTC
Update Date2022-08-31 22:26:44 UTC
Metabolite IDMMDBc0033150
Metabolite Identification
Common Nameall-trans-nonaprenyl diphosphate
Descriptionall-trans-nonaprenyl diphosphate, also known as solanesyl pyrophosphate or solanesyl diphosphoric acid, 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. all-trans-nonaprenyl diphosphate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Synonyms
ValueSource
Solanesyl diphosphateChEBI
Solanesyl pyrophosphateChEBI
Solanesyl diphosphoric acidGenerator
Solanesyl pyrophosphoric acidGenerator
all-trans-Nonaprenyl diphosphoric acidGenerator
[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] phosphono hydrogen phosphoric acidGenerator
Molecular FormulaC45H76O7P2
Average Mass791.044
Monoisotopic Mass790.506628783
IUPAC Name{[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid
Traditional Namesolanesyl diphosphate
CAS Registry NumberNot Available
SMILES
CC(C)=CCC\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\COP(O)(=O)OP(O)(O)=O
InChI Identifier
InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
InChI KeyIVLBHBFTRNVIAP-MEGGAXOGSA-N