Structure Database (LMSD)

Common Name
Decaprenyl phosphate
Systematic Name
3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38-decaen-1-yl phosphate
Synonyms
  • omega,E, octa-Z-decaprenyl phosphate
LM ID
LMPR03020008
Formula
C50H83O4P
Exact Mass
Calculate m/z
778.602898
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Bactoprenol monophosphates [PR0302]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mycobacterium tuberculosis (#1773)
Actinomycetes (#1760)
Decaprenyl diphosphate synthesis in Mycobacterium tuberculosis.,
J Bacteriol, 2004
Pubmed ID: 15516568

String Representations

InChiKey (Click to copy)
XBEJBEIXLWRYBT-DJNGBRKISA-N
InChi (Click to copy)
InChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-
SMILES (Click to copy)
C/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\COP(O)(=O)O

Other Databases

KEGG ID
C02970
CHEBI ID
66867
PubChem CID
45479680
PDB ID
DSL

Calculated Physicochemical Properties

Heavy Atoms 55
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 902.15
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 17.23
Molar Refractivity 244.56

Admin

Created at
-
Updated at
-