Structure Database (LMSD)

Common Name
14-demethyllanosterol
Systematic Name
4,4-dimethyl-5α-cholesta-8,24-dien-3β-ol
Synonyms
  • (3beta,5alpha)-4,4-dimethylcholesta-8,24-dien-3-ol
  • 14-Demethyllanosterol
  • 4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol
  • 4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol
  • 4,4-dimethylzymosterol
LM ID
LMST01010176
Formula
C29H48O
Exact Mass
Calculate m/z
412.370515
Sum Composition
ST 29:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
CHGIKSSZNBCNDW-QGBOJXOESA-N
InChi (Click to copy)
InChI=1S/C29H48O/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/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C(C)(C)[C@]2([H])CCC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(/C)\C)C)CC[C@]13[H]

Other Databases

KEGG ID
C05108
CHEBI ID
18364
PubChem CID
165609
SwissLipids ID
SLM:000000314

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 464.33
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.38
Molar Refractivity 128.77

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Created at
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Updated at
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