Structure database (LMSD)

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LM IDLMFA03070013
Common Name15S-HpEPE
Systematic Name15S-hydroperoxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
Synonyms-
Exact Mass
334.2144 (neutral)    Calculate m/z:
FormulaC20H30O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDBANK IDDFA8150
PubChem CID5283196
CAYMAN ID42710
InChIKeyFPMFSFWYWZLDKP-XWJJKCKWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)2
2/h3-5,8-11,13-14,17,19,23H,2,6-7,12,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,
13-3-,17-14+
SMILESC(/C/C=C\C=C\C(OO)C/C=C\CC)=C/C/C=C\CCCC(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
373.88Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP5.92Molar
Refractivity
99.21