Structure Database (LMSD)

Common Name
13R-HPODE
Systematic Name
13R-hydroperoxy-9Z,11E-octadecadienoic acid
Synonyms
LM ID
LMFA02000329
Status
Active
Exact Mass
Calculate m/z
312.23006
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
JDSRHVWSAMTSSN-PIHGWCCBSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m1/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C\[C@H](OO)CCCCC)(=O)O

References

Reference
Biosynthesis of oxylipins in non-mammals. Alexandra Andreou, Florian Brodhun and Ivo Feussner. Progress in Lipid Research. Volume 48, 2009, pp. 148-170.

https://www.ncbi.nlm.nih.gov/pubmed/19268690

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Gaeumannomyces graminis (#29850)
Sordariomycetes (#147550)
Biosynthesis of oxylipins in non-mammals.,
Prog Lipid Res, 2009
Pubmed ID: 19268690

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 347.20
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.81
Molar Refractivity 90.25

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Updated at
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