Structure Database (LMSD)

O O OH OH P O OH O P
Common Name
trans,trans,cis-Geranylgeranyl diphosphate
Systematic Name
3,7,11,15-tetramethyl-2E,6Z,10Z,14-hexadecatetraen-1-ol diphosphate
Synonyms
LM ID
LMPR0104010003
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-KWBDAJKESA-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)
O(C/C=C(/C)\CC/C=C(\C)/CC/C=C(/CC/C=C(\C)/C)\C)P(O)(OP(=O)(O)O)=O

References

Other Databases

KEGG ID
C11356
HMDB ID
HMDB0060108
CHEBI ID
10698
PubChem CID
5281909

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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