Structure database (LMSD)

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LM IDLMFA03080012
Common Name11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
Systematic Name11R,12S-epoxy-8-hydroxy-5Z,9E,14Z-eicosatrienoic acid
Synonyms(5Z,9E,14Z)-(11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate;(5Z,9E,14Z)-
(11R,12S)-11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassEpoxyeicosatrienoic acids [FA0308]
PubChem Substance ID (SID)85291475
METABOLOMICS ID-
KEGG IDC04849
HMDB ID-
YMDB ID-
CHEBI ID15631
InChIKeySGTUOBURCVMACZ-CIQDQOFUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h
6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19+/m
0/s1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
366.80Topological Polar
Surface Area
70.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP5.26Molar
Refractivity
98.49    
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