Structure Database (LMSD)

Common Name
all-trans-pentaprenyl diphosphate
Systematic Name
3,7,11,15,19-pentamethylicosa-2E,6E,10E,14E,18-pentaen-1-yl trihydrogen diphosphate
Synonyms
  • all-trans-Pentaprenyl diphosphate
LM ID
LMPR0105010014
Formula
C25H44O7P2
Exact Mass
Calculate m/z
518.256231
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C25 isoprenoids (sesterterpenes) [PR0105]
Acyclic sesterterpenoids [PR010501]

String Representations

InChiKey (Click to copy)
JMVSBFJBMXQNJW-GIXZANJISA-N
InChi (Click to copy)
InChI=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+
SMILES (Click to copy)
C(/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

Other Databases

KEGG ID
C04217
HMDB ID
HMDB0012231
CHEBI ID
16818
PubChem CID
5280659

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 529.05
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 8.88
Molar Refractivity 140.38

Admin

Created at
-
Updated at
-