Structure Database (LMSD)

Common Name
cycloartenol
Systematic Name
9β,19-cyclolanost-24-en-3β-ol
Synonyms
  • 9beta,19-Cyclo-24-lanosten-3beta-ol
  • Cycloartenol
  • cycloartenol
LM ID
LMST01100008
Formula
C30H50O
Exact Mass
Calculate m/z
426.386165
Sum Composition
ST 30:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cycloartanols and derivatives [ST0110]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pisum sativum (#3888)
Magnoliopsida (#3398)
The biosynthesis of sterols in higher plants.,
Biochem J, 1966
Pubmed ID: 5964970

String Representations

InChiKey (Click to copy)
ONQRKEUAIJMULO-YBXTVTTCSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
SMILES (Click to copy)
[C@@]123CC[C@]4(C)[C@]([H])(CC[C@@]4(C)[C@]1([H])CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C3)O)[C@H](C)CC/C=C(\C)/C

Other Databases

Wikipedia
cycloartenol
KEGG ID
C01902
CHEBI ID
17030
PubChem CID
92110
SwissLipids ID
SLM:000000471

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 471.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.46
Molar Refractivity 131.23

Admin

Created at
-
Updated at
8th Mar 2021