Structure database (LMSD)

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LM IDLMFA04000037
Common Name16(17)-EpDPE
Systematic Name(+/-)-16(17)-epoxy-4Z,7Z,10Z,13Z,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]
PubChem CID14392758
HMDB IDHMDB0013621
InChIKeyBCTXZWCPBLWCRV-ZYADFMMDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H32O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-2
2(23)24/h3,5-8,11-15,20-21H,2,4,9-10,16-19H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-
3-,15-12-
SMILESC(CC/C=C\C/C=C\C/C=C\C/C=C\CC1OC1C/C=C\CC)(=O)O
MS StandardView lipid standard
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