Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 00:37:13 UTC
Update Date2022-08-31 17:58:54 UTC
Metabolite IDMMDBc0031147
Metabolite Identification
Common NameGeranyl diphosphate
DescriptionGeranyl diphosphate is regarded as a key intermediate in the steroid, isoprene and terpene biosynthesis pathways and is used in the biosynthesis of farnesyl pyrophosphate, geranylgeranyl pyrophosphate, cholesterol, terpenes and terpenoids. (wikipedia).↵
Structure
Synonyms
ValueSource
Geranyl diphosphoric acidGenerator
Molecular FormulaC40H68O7P2
Average Mass722.9112
Monoisotopic Mass722.444027554
IUPAC Namebis(2E)-3,7-dimethylocta-2,6-dien-1-yl {[bis({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy})phosphoryl]oxy}phosphonate
Traditional Namebis(2E)-3,7-dimethylocta-2,6-dien-1-yl {bis[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxyphosphoryl}oxyphosphonate
CAS Registry Number763-10-0
SMILES
[H]\C(COP(=O)(OC\C([H])=C(/C)CCC=C(C)C)OP(=O)(OC\C([H])=C(/C)CCC=C(C)C)OC\C([H])=C(/C)CCC=C(C)C)=C(\C)CCC=C(C)C
InChI Identifier
InChI=1S/C40H68O7P2/c1-33(2)17-13-21-37(9)25-29-43-48(41,44-30-26-38(10)22-14-18-34(3)4)47-49(42,45-31-27-39(11)23-15-19-35(5)6)46-32-28-40(12)24-16-20-36(7)8/h17-20,25-28H,13-16,21-24,29-32H2,1-12H3/b37-25+,38-26+,39-27+,40-28+
InChI KeyCNCHONBZLLTYBW-NISPWTRESA-N