Structure Database (LMSD)

Common Name
Zymostenol
Systematic Name
5α-cholest-8-en-3β-ol
Synonyms
  • 5alpha-cholest-8(9)-en-3beta-ol
LM ID
LMST01010096
Formula
C27H46O
Exact Mass
Calculate m/z
386.354865
Sum Composition
ST 27:1;O
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]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
QETLKNDKQOXZRP-XTGBIJOFSA-N
InChi (Click to copy)
InChI=1S/C27H46O/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/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])C=3CC[C@@]2([H])C[C@@H](O)C1

Other Databases

KEGG ID
C03845
HMDB ID
HMDB0006841
CHEBI ID
16608
LIPIDBANK ID
SST9102
PubChem CID
101770
SwissLipids ID
SLM:000000468
Cayman ID
26209

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 432.37
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.82
Molar Refractivity 119.63

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Created at
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Updated at
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