Structure Database (LMSD)

Common Name
7alpha-hydroxy-Desmosterol
Systematic Name
cholest-5,24-dien-3β,7α-diol
Synonyms
LM ID
LMST01010468
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

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Analysis of bioactive oxysterols in newborn mouse brain by LC/MS.,
J Lipid Res, 2012
Pubmed ID: 22891291

String Representations

InChiKey (Click to copy)
XRQLMOAMJVBUKQ-RVOWOUOISA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h7,16,18,20-25,28-29H,6,8-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
SMILES (Click to copy)
[C@]12([C@H](O)C=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC/C=C(\C)/C)CC[C@@]21[H])[H]

Other Databases

PubChem CID
57313671

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
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

Admin

Created at
9th Apr 2021
Updated at
9th Apr 2021