Structure Database (LMSD)

H H H H HO OH
Common Name
24S-OH-7-DHC
Systematic Name
cholesta-5,7-dien-3β,24S-diol
Synonyms
LM ID
LMST01010356
Formula
C27H44O2
Exact Mass
Calculate m/z
400.33413
Sum Composition
ST 27:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
JZCPTPIGOKTFQQ-ADYUQSCBSA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7-8,17-18,20,22-25,28-29H,6,9-16H2,1-5H3/t18-,20+,22-,23+,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1[C@@]2(C)C(=CC=C3[C@]2([H])CC[C@]2(C)[C@@]([H])([C@@]([H])(CC[C@H](O)C(C)C)C)CC[C@@]32[H])C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Novel oxysterols observed in tissues and fluids of AY9944-treated rats: a model for Smith-Lemli-Opitz syndrome.,
J Lipid Res, 2011
Pubmed ID: 21817059

Other Databases

CHEBI ID
137061
PubChem CID
56940691

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 438.52
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.85
Molar Refractivity 121.44

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Updated at
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