Structure database (LMSD)

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LM IDLMFA03070053
Common Name15-HEPE
Systematic Name(5Z,8Z,11Z,13E,17Z)-16-hydroxyicosa-5,8,11,13,17-pentaenoic acid
Synonyms-
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID53480357
HMDB IDHMDB0010209
InChIKeyUDXLGBLAJBYLSZ-XBCQTNLFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h
3-5,8-12,14,16,19,21H,2,6-7,13,15,17-18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,14-12+
,16-3-
SMILESCC/C=C\C(O)C/C=C/C=C\C/C=C\C/C=C\CCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
365.09Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.25Molar
Refractivity
97.85