Structure Database (LMSD)

O O O HO P OH O HO P
Common Name
Neryl diphosphate
Systematic Name
Neryl pyrophosphate
Synonyms
LM ID
LMPR0102010002
Formula
C10H20O7P2
Exact Mass
Calculate m/z
314.068431
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]
C10 isoprenoids (monoterpenes) [PR0102]
Acyclic monoterpenoids [PR010201]

String Representations

InChiKey (Click to copy)
GVVPGTZRZFNKDS-YFHOEESVSA-N
InChi (Click to copy)
InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-
SMILES (Click to copy)
C(/COP(=O)(O)OP(O)(=O)O)=C(\C)/CC/C=C(\C)/C

References

Other Databases

KEGG ID
C02569
CHEBI ID
16172
PubChem CID
5280528

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 277.47
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.70
Molar Refractivity 71.41

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Created at
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Updated at
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