Structure database (LMSD)

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LM IDLMFA03000006
Common Name17R,18S-EpETE
Systematic Name17R,18S-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms(5Z,8Z,11Z,14Z)-(17R,18S)-17,18-Epoxyicosa-5,8,11,14-tetraenoic acid
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassOther Eicosanoids [FA0300]
Alternative ClassesUnsaturated fatty acids[FA0103], Epoxy fatty acids[FA0107]
AbbrevFA 20:5;O
PubChem CID5282277
KEGG IDC13843
HMDB IDHMDB10212
CHEBI ID76953
SWISSLIPIDS IDSLM:000389389
InChIKeyGPQVVJQEBXAKBJ-VDTDYMMTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-/t18-,19+/m0/s1
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SMILES
C(=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O)/C[C@H]1O[C@H]1CC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
355.37Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.78Molar
Refractivity
96.49