Structure Database (LMSD)
Common Name
3S-squalene-2,3-epoxide
Systematic Name
2,3S-epoxy-2,6,10,15,19,23-hexamethyltetracosa-6E,10E,14E,18E,22-pentaene
Synonyms
- (S)-2,3-epoxysqualene
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3S-squalene-2,3-epoxide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
QYIMSPSDBYKPPY-RSKUXYSASA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1
SMILES (Click to copy)
C(/C)(\CC/C=C(\C)/CC[C@]1([H])O[C@@]1(C)C)=C/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
1
Rotatable Bonds
8
Van der Waals Molecular Volume
269.68
Topological Polar Surface Area
107.97
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
2.29
Molar Refractivity
71.49
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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Created at
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Updated at
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