Structure Database (LMSD)

Common Name
Epi-cholestanol
Systematic Name
5α-cholestan-3α-ol
Synonyms
LM ID
LMST01010098
Status
Active
Exact Mass
Calculate m/z
388.370515
Formula
C27H48O
Abbrev
ST 27:0;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
QYIXCDOBOSTCEI-FBVYSKEZSA-N
InChi (Click to copy)
InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@H](O)C1

References

Other Databases

KEGG ID
C12978
HMDB ID
HMDB0001569
CHEBI ID
31542
LIPIDBANK ID
SST9116
PubChem CID
66066

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 435.01
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.75
Molar Refractivity 119.59

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Created at
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Updated at
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