Structure database (LMSD)

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LM IDLMFA03060048
Common Name8,15-diHPETE
Systematic Name8,15-dihydroperoxy-5,9,11,13-eicosatetraenoic acid
Synonyms-
Exact Mass
368.2199 (neutral)    Calculate m/z:
FormulaC20H32O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDBANK IDDFA8089
PubChem CID5283181
InChIKeyCXDIKCDVBUPCCG-CJTBBFCXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O6/c1-2-3-8-13-18(25-23)14-9-4-5-10-15-19(26-24)16-11-6-7-12-17-2
0(21)22/h4-6,9-11,14-15,18-19,23-24H,2-3,7-8,12-13,16-17H2,1H3,(H,21,22)/b5-4-,1
1-6-,14-9+,15-10-
SMILESC(=C/C=C\C=C\C(OO)CCCCC)/C(OO)C/C=C\CCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
394.10Topological Polar
Surface Area
96.22Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP6.07Molar
Refractivity
102.56