Structure Database (LMSD)

OH P OH P O O OH O O
Common Name
2-trans,6-cis,10-trans-geranylgeranyl diphosphate
Systematic Name
(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate
Synonyms
LM ID
LMPR0104010013
Formula
C20H36O7P2
Exact Mass
Calculate m/z
450.193631
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]
C20 isoprenoids (diterpenes) [PR0104]
Acyclic diterpenoids [PR010401]

String Representations

InChiKey (Click to copy)
OINNEUNVOZHBOX-GJCDQOAASA-N
InChi (Click to copy)
InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13-,20-15+
SMILES (Click to copy)
C/C(/CC/C=C(\C)/CC/C=C(\C)/C)=C/CC/C(/C)=C/COP(O)(=O)OP(O)(O)=O

References

Other Databases

CHEBI ID
48862
PubChem CID
9868371

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 445.19
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 7.15
Molar Refractivity 117.39

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Created at
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Updated at
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