Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010016
Common NameDesmosterol (W)
Systematic Namecholest-5,24-dien-3β-ol
Synonyms-
Exact Mass
384.3392 (neutral)    Calculate m/z:
FormulaC27H44O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
LIPIDBANK IDSST9090
PubChem Compound ID (CID)439577
METABOLOMICS ID-
KEGG IDC01802
HMDB IDHMDB02719
YMDB ID-
CHEBI ID17737
InChIKeyAVSXSVCZWQODGV-DPAQBDIFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H44O/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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24
+,25+,26+,27-/m1/s1
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
429.73Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.60Molar
Refractivity
119.54    
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