Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103010023
Common Namefarnesyl triphosphate
Systematic Name3,7,11-trimethyldodeca-2,6,10-trien-1-yl tetrahydrogen triphosphate
SynonymsFarnesyl triphosphate; farnesol triphosphate; farnesyl triphosphate
Exact Mass
462.0974 (neutral)    Calculate m/z:
FormulaC15H29O10P3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acyclic farnesane sesquiterpenoids [PR010301]
PubChem CID5280571
KEGG IDC03115
CHEBI ID17961
InChIKeyQIOOKVHMPPJVHS-YFVJMOTDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H29O10P3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-23-27(19,20)25-28(21,22)24-26(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H,21,22)(H2,16,17,18)/b14-9+,15-11+
Click to highlight InChI
SMILES
P(=O)(O)(OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)OP(=O)(O)OP(=O)(O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
407.53Topological Polar
Surface Area
159.82Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
10
 logP5.72Molar
Refractivity
105.17