Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104010003
Common Nametrans,trans,cis-Geranylgeranyl diphosphate
Systematic Name3,7,11,15-tetramethyl-2E,6Z,10Z,14-hexadecatetraen-1-ol 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)5281909
KEGG IDC11356
HMDB IDHMDB04486
CHEBI ID15831
InChIKeyOINNEUNVOZHBOX-KWBDAJKESA-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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