Structure database (LMSD)

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LM IDLMFA03050004
Common Name(+/-)5,6-DiHETrE
Systematic Name5,6-dihydroxy-8Z,11Z,14Z-eicosatrienoic acid
Synonyms-
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
LIPIDBANK IDDFA8106
PubChem CID5283142
KEGG IDC14772
HMDB IDHMDB0002343
CHEBI ID63974
InChIKeyGFNYAPAJUNPMGH-QNEBEIHSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-
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SMILES
C(/C=C\CC(O)C(O)CCCC(=O)O)/C=C\C/C=C\CCCCC
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MS StandardView lipid standard
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