Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102010017
Common Name(R)-lavandulyl diphosphate
Systematic Name(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl trihydrogen diphosphate
Synonyms(2R)-5-methyl-2-(1-methylethenyl)hex-4-en-1-yl trihydrogen diphosphate
Exact Mass
314.0684 (neutral)    Calculate m/z:
FormulaC10H20O7P2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Acyclic monoterpenoids [PR010201]
PubChem Compound ID (CID)16071112
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID50280
InChIKeyLHLLBECTIHFNGQ-JTQLQIEISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H20O7P2/c1-8(2)5-6-10(9(3)4)7-16-19(14,15)17-18(11,12)13/h5,10H,3,6-
7H2,1-2,4H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1
SMILESCC(C)=CC[C@@H](COP(O)(=O)OP(O)(O)=O)C(C)=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
277.47Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP3.56Molar
Refractivity
71.34    
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