LIPID MAPS

Structure Database (LMSD)

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Common Name

(24Z),26-hydroxydesmosterol

Systematic Name

cholest-5,24Z-dien-3β,26-diol

Synonyms

LM ID

LMST01010386

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

String Representations

InChiKey (Click to copy)

CLACDUUQGFRYIM-QHYPZIEJSA-N

InChi (Click to copy)

InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h6,8,19,21-25,28-29H,5,7,9-17H2,1-4H3/b18-6-/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

SMILES (Click to copy)

[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC/C=C(\CO)/C)CC[C@@]21[H])[H]

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

DOI: 10.1194/jlr.D028233

Other Databases

CHEBI ID

137053

PubChem CID

69762915

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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