Structure Database (LMSD)

OH O
Common Name
11-hydroperoxy-squalene
Systematic Name
11-hydroperoxy-10-methylene-2,6,15,19,23-pentamethyltetracosa-2,6E,14E,18E,22-pentaene
Synonyms
  • 11-OOH-SQ
LM ID
LMPR0106010033
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
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]

String Representations

InChiKey (Click to copy)
LAGZPEHMEUMDAM-JSFDVHLOSA-N
InChi (Click to copy)
InChI=1S/C30H50O2/c1-24(2)14-9-16-26(5)18-11-19-28(7)21-13-23-30(32-31)29(8)22-12-20-27(6)17-10-15-25(3)4/h14-15,18,20-21,30-31H,8-13,16-17,19,22-23H2,1-7H3/b26-18+,27-20+,28-21+
SMILES (Click to copy)
C(/CCC(OO)C(=C)CC/C=C(\C)/CC/C=C(\C)/C)=C(/C)\CC/C=C(\C)/CC/C=C(\C)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
gamma-Tocotrienol reduces squalene hydroperoxide-induced inflammatory responses in HaCaT keratinocytes.,
Lipids, 2010
Pubmed ID: 20714817

Other Databases

PubChem CID
52929828

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 529.30
Topological Polar Surface Area 29.46
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.53
Molar Refractivity 143.32

Admin

Created at
-
Updated at
-