Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010013
Common Name7α-hydroxy-cholesterol
Systematic Namecholest-5-en-3β,7α-diol
Synonyms-
Exact Mass
402.3498 (neutral)    Calculate m/z:
FormulaC27H46O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
LIPIDBANK IDSST9032
PubChem CID107722
KEGG IDC03594
HMDB IDHMDB01496
CHEBI ID17500
SWISSLIPIDS IDSLM:000000996
CAYMAN ID20098
InChIKeyOYXZMSRRJOYLLO-RVOWOUOISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-1
1-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,2
3+,24-,25+,26+,27-/m1/s1
SMILES[C@]12([C@H](O)C=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)(
[H])CCCC(C)C)CC[C@@]21[H])[H]
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
441.16Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.93Molar
Refractivity
121.47