Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104010013
Common Name2-trans,6-cis,10-trans-geranylgeranyl diphosphate
Systematic Name(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen
diphosphate
Synonyms-
Exact Mass
450.1936 (neutral)    Calculate m/z:
FormulaC20H36O7P2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
PubChem Compound ID (CID)9868371
CHEBI ID48862
InChIKeyOINNEUNVOZHBOX-GJCDQOAASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24
,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b
18-11+,19-13-,20-15+
SMILESCC(C)=CCC/C(/C)=C/CC/C(/C)=C\CC/C(/C)=C/COP(O)(=O)OP(O)(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
445.19Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP7.15Molar
Refractivity
117.39    
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