Structure Database (LMSD)

Common Name
24-methylene-cycloartanol
Systematic Name
24-methylene-9β,19-cyclo-lanostan-3β-ol
Synonyms
LM ID
LMST01100001
Formula
C31H52O
Exact Mass
Calculate m/z
440.401816
Sum Composition
ST 31:2;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
BDHQMRXFDYJGII-UEBIAWITSA-N
InChi (Click to copy)
InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]43C[C@@]14CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=C)C(C)C)CC[C@@]21C

Other Databases

KEGG ID
C08830
CHEBI ID
1307
PubChem CID
94204

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 489.21
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.70
Molar Refractivity 135.78

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Created at
-
Updated at
8th Mar 2021