Structure Database (LMSD)

Common Name
8R,9S-cis-epoxy-10S-hydroxy-eicosa-11Z,14Z-dienoic acid
Systematic Name
8R,9S-epoxy-10S-hydroxy-11Z,14Z-eicosadienoic acid
Synonyms
LM ID
LMFA03000014
Status
Active
Exact Mass
Calculate m/z
338.24571
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)
OSJHGFZWDLQFAS-GPTLMNHHSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-11-14-17(21)20-18(24-20)15-12-9-10-13-16-19(22)23/h6-7,11,14,17-18,20-21H,2-5,8-10,12-13,15-16H2,1H3,(H,22,23)/b7-6-,14-11-/t17-,18+,20-/m0/s1
SMILES (Click to copy)
C(O)(=O)CCCCCC[C@H]1O[C@H]1[C@@H](O)/C=C\C/C=C\CCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Plexaura homomalla (#47982)
Anthozoa (#6101)
8R-Lipoxygenase-catalyzed synthesis of a prominent cis-epoxyalcohol from dihomo-γ-linolenic acid: a distinctive transformation compared with S-lipoxygenases.,
J Lipid Res, 2012
Pubmed ID: 22158855

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 369.44
Topological Polar Surface Area 70.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.48
Molar Refractivity 98.58

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Created at
-
Updated at
1st Mar 2022