Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03060072
Common Name9S-HpETE
Systematic Name9S-hydroperoxy-5Z,7E,11Z,14Z-eicosatetraenoic acid
Synonyms-
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 20:4;O2
PubChem CID9548878
KEGG IDC14821
CHEBI ID34497
InChIKeyLIYCOTUUWOESJK-VBLHFSPLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1
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SMILES
[C@H](OO)(C/C=C\C/C=C\CCCCC)/C=C/C=C\CCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume		376.52Topological Polar
Surface Area		66.76Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		4
 logP6.14Molar
Refractivity		99.30