Structure database (LMSD)

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LM IDLMFA03060045
Common Name14-hydroperoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
Systematic Name14-hydroperoxy-5Z,8Z,11Z,15E-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
LIPIDBANK IDDFA8086
PubChem CID5283178
InChIKeyQONRJGQXXMFQBY-YKEHQFFYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O4/c1-2-3-4-13-16-19(24-23)17-14-11-9-7-5-6-8-10-12-15-18-20(21)22/h5,7-8,10-11,13-14,16,19,23H,2-4,6,9,12,15,17-18H2,1H3,(H,21,22)/b7-5-,10-8-,14-11-,16-13+
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SMILES
C(/C/C=C\CC(OO)/C=C/CCCC)=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