Structure database (LMSD)

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LM IDLMFA03050016
Common Name8,9-dihydroxy-5,11,14-eicosatrienoic acid
Systematic Name8,9-dihydroxy-5,11,14-eicosatrienoic acid
Synonyms5,11,14-Eicosatrienoic acid, 8,9-dihydroxy-; 8,9-Dihydroxy-5,11,14-
eicosatrienoic acid
Exact Mass
338.2457 (neutral)    Calculate m/z:
FormulaC20H34O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:3;O2
LIPIDAT ID2964
PubChem CID5312971
InChIKeyDCJBINATHQHPKO-QPZDSRGTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6+,12-9+,13-10+
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SMILES
C(CCC/C=C/CC(O)C(O)C/C=C/C/C=C/CCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
379.16Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.96Molar
Refractivity
99.94