Structure database (LMSD)

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LM IDLMFA03050028
Common Name5-HETrE
Systematic Name(6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid
Synonyms(6E,8Z,11Z)-5-hydroxyeicosa-6,8,11-trienoic acid;5-hydroxy-6E,8Z,11Z-
eicosatrienoic acid;5-hydroxy-6E,8Z,11Z-icosatrienoic acid
Exact Mass
322.2508 (neutral)    Calculate m/z:
FormulaC20H34O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:3;O
PubChem CID16759351
CHEBI ID72856
InChIKeyLSADDRSUZRRBAN-SRMUOKRHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+
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SMILES
C(/C/C=C\CCCCCCCC)=C/C=C/C(O)CCCC(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
370.37Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.70Molar
Refractivity
98.04