Structure database (LMSD)

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LM IDLMST01010149
Common Name4,4-dimethylcholesta-8,11,24-trienol
Systematic Name4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol
Synonyms4,4-dimethylcholesta-8,11,24-trien-3β-ol
Exact Mass
410.3549 (neutral)    Calculate m/z:
FormulaC29H46O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID443212
KEGG IDC11455
HMDB IDHMDB0001023
CHEBI ID17813
SWISSLIPIDS IDSLM:000000313
CAYMAN ID26093
InChIKeyLFQXEZVYNCBVDO-PBJLWWPKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-
29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,
22-,25+,26+,28-,29-/m1/s1
SMILESC12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@@]([H])([C@@](C)([H])C
C/C=C(\C)/C)CC=C21
StatusActive
ReferencesBiochem Soc Trans. 2005 Nov;33(Pt 5):1178-81.
Interactions of the ergosterol biosynthetic pathway with other lipid pathways.
Veen M, Lang C.
PMID: 16246076
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
461.69Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.30Molar
Refractivity
128.75