Structure database (LMSD)

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LM IDLMPR0105010014
Common Nameall-trans-pentaprenyl diphosphate
Systematic Name3,7,11,15,19-pentamethylicosa-2E,6E,10E,14E,18-pentaen-1-yl trihydrogen
diphosphate
Synonymsall-trans-Pentaprenyl diphosphate
Exact Mass
518.2562 (neutral)    Calculate m/z:
FormulaC25H44O7P2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Acyclic sesterterpenoids [PR010501]
PubChem CID5280659
KEGG IDC04217
HMDB IDHMDB0012231
CHEBI ID16818
InChIKeyJMVSBFJBMXQNJW-GIXZANJISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6
)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(
H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+
SMILESC(/C(=C/CC/C(=C/COP(O)(OP(O)(O)=O)=O)/C)/C)C/C=C(/CC/C=C(\C)/CC/C=C(/C)\C)\C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms34Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
529.05Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP8.88Molar
Refractivity
140.38