Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010001
Common NameCholesterol (W)
Systematic Namecholest-5-en-3β-ol
SynonymsCholesterol; Cholest-5-en-3-ol; (3β)-Cholest-5-en-3-ol; Cholesteryl alcohol
Exact Mass
386.3549 (neutral)    Calculate m/z:
FormulaC27H46O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
LIPIDBANK IDSST9061
PubChem CID5997
KEGG IDC00187
HMDB IDHMDB0000067
CHEBI ID16113
SWISSLIPIDS IDSLM:000000287
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,
4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,2
4+,25+,26+,27-/m1/s1
SMILES[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC
C(C)C)CC[C@@]21[H])[H]
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
432.37Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.68Molar
Refractivity
119.56