Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST04030168
Common Name7α,24S-dihydroxycholesterol
Systematic Namecholest-5-en-3β,7α,24S-triol
Synonyms(24S)-Cholest-5-ene-3β,7α,24-triol
Exact Mass
418.3447 (neutral)    Calculate m/z:
FormulaC27H46O3
CategorySterol Lipids [ST]
Main ClassBile acids and derivatives [ST04]
Sub ClassC27 bile acids, alcohols, and derivatives [ST0403]
PubChem CID11954196
KEGG IDC15518
HMDB IDHMDB0060136
CHEBI ID37640
SWISSLIPIDS IDSLM:000485337
InChIKeyZNCHPOYZMVVJCK-LIZWOPGQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)1
2-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20-,21
+,22+,23+,24-,25+,26+,27-/m1/s1
SMILES[C@@]12([C@]([C@H](O)C=C3[C@@]1(CC[C@@H](C3)O)C)([H])[C@]1([H])CC[C@]([H])([C@@H
](CC[C@H](O)C(C)C)C)[C@@]1(C)CC2)[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
449.95Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP6.19Molar
Refractivity
123.37