Structure database (LMSD)

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LM IDLMFA03080007
Common Name(+/-)11,12-Ep-15S-HETrE
Systematic Name11,12-epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Synonyms-
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassEpoxyeicosatrienoic acids [FA0308]
PubChem Substance ID (SID)24701325
METABOLOMICS ID-
KEGG IDC14781
HMDB IDHMDB05050
YMDB ID-
CHEBI ID-
InChIKeyGELFSVXLSDZDHE-YZSNCDGGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C20H32O4/c1-2-3-9-12-17(21)15-16-19-18(24-19)13-10-7-5-4-6-8-11-14-20(22)23/h
4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18?,1
9?/m0/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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