Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104010007
Common NamePhytyl phosphate
Systematic Name3,7R,11R,15-tetramethyl-2E-hexadecen-1-ol phosphate
Synonyms-
Exact Mass
376.2742 (neutral)    Calculate m/z:
FormulaC20H41O4P
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
PubChem Compound ID (CID)25245114
InChIKeyYRXRHZOKDFCXIB-PYDDKJGSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,
22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/b20-15+/t18-,19-/m1/s1
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(/C)=C/COP(O)(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
406.91Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP7.11Molar
Refractivity
106.69    
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