Structure database (LMSD)

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LM IDLMPR0103010011
Common Name2-trans,6-cis-farnesyl diphosphate
Systematic Name(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
Synonyms-
Exact Mass
382.1310 (neutral)    Calculate m/z:
FormulaC15H28O7P2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acyclic farnesane sesquiterpenoids [PR010301]
PubChem CID10970974
CHEBI ID19784
InChIKeyVWFJDQUYCIWHTN-GNESMGCMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11+
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SMILES
C(=C(/C)\CC/C=C(/C)\CC/C=C(/C)\C)/COP(O)(=O)OP(O)(O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
361.33Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP5.43Molar
Refractivity
94.40