Structure Database (LMSD)

OH P OH P OH O O O O
Common Name
2-trans,6-cis-farnesyl diphosphate
Systematic Name
(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
Synonyms
LM ID
LMPR0103010011
Formula
C15H28O7P2
Exact Mass
Calculate m/z
382.131031
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Acyclic farnesane sesquiterpenoids [PR010301]

String Representations

InChiKey (Click to copy)
VWFJDQUYCIWHTN-GNESMGCMSA-N
InChi (Click to copy)
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+
SMILES (Click to copy)
C(=C(/C)\CC/C=C(/C)\CC/C=C(/C)\C)/COP(O)(=O)OP(O)(O)=O

References

Other Databases

CHEBI ID
19784
PubChem CID
10970974

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 361.33
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.43
Molar Refractivity 94.40

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Created at
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Updated at
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