Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR01070055
Common NameFucoxanthinol
Systematic Name-
Synonyms-
Exact Mass
616.4128 (neutral)    Calculate m/z:
FormulaC40H56O5
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC40 isoprenoids (tetraterpenes) [PR0107]
LIPIDBANK IDVCA0053
PubChem CID11273547
InChIKeyNZEPSBGUXWWWSI-VOPPYBPXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-36(5,6)23-32(41)25-38(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)27-40-37(7,8)24-33(42)26-39(40,10)45-40/h11-21,32-33,41-42,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22-,32-,33-,38+,39+,40-/m0/s1
Click to highlight InChI
SMILES
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms45Rings3Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume		681.03Topological Polar
Surface Area		90.29Hydrogen
Bond Donors		3Hydrogen
Bond Acceptors		5
 logP9.55Molar
Refractivity		187.12