Structure database (LMSD)

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LM IDLMFA04000036
Common Name13(14)-EpDPE
Systematic Name(+/-)-13(14)-epoxy-4Z,7Z,10Z,16Z,19Z-docosapentaenoic acid
Synonyms-
Exact Mass
344.2351 (neutral)    Calculate m/z:
FormulaC22H32O3
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103], Epoxy fatty acids[FA0107]
AbbrevFA 22:6;O
PubChem CID11674605
CHEBI ID136563
InChIKeyDCFKVKFLEPMEGT-UQZHZJRSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h3-4,6-7,10-15,20-21H,2,5,8-9,16-19H2,1H3,(H,23,24)/b4-3-,7-6-,13-10-,14-11-,15-12-
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SMILES
C(CC/C=C\C/C=C\C/C=C\CC1OC1C/C=C\C/C=C\CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
387.33Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.33Molar
Refractivity
105.63