Structure Database (LMSD)

O H O H
Common Name
Diepoxysqualene
Systematic Name
2,3S:22S,23-diepoxysqualene
Synonyms
LM ID
LMPR0106010038
Formula
C30H50O2
Exact Mass
Calculate m/z
442.38108
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Acyclic triterpenoids [PR010601]

String Representations

InChiKey (Click to copy)
KABSNIWLJXCBGG-OQSIWNGOSA-N
InChi (Click to copy)
InChI=1S/C30H50O2/c1-23(15-11-17-25(3)19-21-27-29(5,6)31-27)13-9-10-14-24(2)16-12-18-26(4)20-22-28-30(7,8)32-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+/t27-,28-/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@]1([H])O[C@]1(C)C

References

Other Databases

CHEBI ID
138307
PubChem CID
92449689

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 2
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 509.86
Topological Polar Surface Area 25.06
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 10.17
Molar Refractivity 141.15

Reactions

Filter by species:
ⓘ 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.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
-