Structure Database (LMSD)
Common Name
2-hydroperoxy-squalene
Systematic Name
2-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-3E,6E,10E,14E,18E,22-hexaene
Synonyms
- 2-OOH-SQ
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KUAXEKROXMPHEM-UNXIFHAYSA-N
InChi (Click to copy)
InChI=1S/C30H50O2/c1-25(2)15-11-18-28(5)21-12-19-26(3)16-9-10-17-27(4)20-13-22-29(6)23-14-24-30(7,8)32-31/h14-17,21-22,24,31H,9-13,18-20,23H2,1-8H3/b24-14+,26-16+,27-17+,28-21+,29-22+
SMILES (Click to copy)
C(/CC/C=C(\C)/CC/C=C(\C)/C/C=C/C(C)(OO)C)=C(/C)\CC/C=C(\C)/CC/C=C(\C)/C
References
Reference
gamma-Tocotrienol Reduces Squalene Hydroperoxide-Induced
Inflammatory Responses in HaCaT Keratinocytes
Kiyotaka Nakagawa,Akira Shibata,Toru Maruko,
Phumon Sookwong,Tsuyoshi Tsuduki,Kayoko Kawakami,
Hiroshi Nishida,Teruo Miyazawa
Lipids (2010) 45:833-841
Inflammatory Responses in HaCaT Keratinocytes
Kiyotaka Nakagawa,Akira Shibata,Toru Maruko,
Phumon Sookwong,Tsuyoshi Tsuduki,Kayoko Kawakami,
Hiroshi Nishida,Teruo Miyazawa
Lipids (2010) 45:833-841
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
Lipids, 2010
Pubmed ID:
20714817
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
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
-