Structure Database (LMSD)

Common Name
4,4-dimethylcholesta-8,11,24-trienol
Systematic Name
4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol
Synonyms
  • 4,4-dimethylcholesta-8,11,24-trien-3beta-ol
LM ID
LMST01010149
Status
Active
Exact Mass
Calculate m/z
410.354865
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LFQXEZVYNCBVDO-PBJLWWPKSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC/C=C(\C)/C)CC=C21

References

Reference
Biochem 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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae (#4932)
Saccharomycetes (#4891)
Interactions of the ergosterol biosynthetic pathway with other lipid pathways.,
Biochem Soc Trans, 2005
Pubmed ID: 16246076

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 461.69
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.30
Molar Refractivity 128.75

Admin

Created at
-
Updated at
-