Structure Database (LMSD)

Common Name
10-hydroperoxy-squalene
Systematic Name
10-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6E,11E,14E,18E,22-hexaene
Synonyms
  • 10-OOH-SQ
LM ID
LMPR0106010037
Formula
C30H50O2
Exact Mass
Calculate m/z
442.38108
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]

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

String Representations

InChiKey (Click to copy)
MLALCNVBNRVLPM-GHTIYQSLSA-N
InChi (Click to copy)
InChI=1S/C30H50O2/c1-25(2)15-11-18-28(6)21-13-20-27(5)17-9-10-23-30(8,32-31)24-14-22-29(7)19-12-16-26(3)4/h10,15-17,21-23,31H,9,11-14,18-20,24H2,1-8H3/b23-10+,27-17+,28-21+,29-22+
SMILES (Click to copy)
C(/C/C=C/C(OO)(C)CC/C=C(\C)/CC/C=C(\C)/C)=C(/C)\CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
52929832

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

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Updated at
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