Structure database (LMSD)

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LM IDLMFA03050008
Common Name(+/-)11,12-DiHETrE
Systematic Name11,12-dihydroxy-5Z,8Z,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 IDDFA8108
PubChem CID5283146
KEGG IDC14774
HMDB IDHMDB0002314
CHEBI ID63969
SWISSLIPIDS IDSLM:000501365
InChIKeyLRPPQRCHCPFBPE-KROJNAHFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-
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SMILES
C(/C=C\C/C=C\CCCC(=O)O)C(O)C(O)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