Structure Database (LMSD)

Systematic Name
Cholest-5-ene
Synonyms
LM ID
LMST01010243
Formula
C27H46
Exact Mass
Calculate m/z
370.35995
Sum Composition
ST 27:1
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]

String Representations

InChiKey (Click to copy)
DTGDZMYNKLTSKC-HKQCOZBKSA-N
InChi (Click to copy)
InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC=C3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]21[H]

Other Databases

KEGG ID
C05416
HMDB ID
HMDB0000941
CHEBI ID
28810
PubChem CID
440663

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 423.58
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.42
Molar Refractivity 117.66

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Updated at
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