Structure database (LMSD)

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LM IDLMFA04000050
Common NameAdrenic acid
Systematic Name7,10,13,16-docosatetraenoic acid
SynonymsC22:4n-6,9,12,15
Exact Mass
332.2715 (neutral)    Calculate m/z:
FormulaC22H36O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 22:4
PubChem CID5282844
HMDB IDHMDB02226
PlantFA ID10163
InChIKeyTWSWSIQAPQLDBP-CGRWFSSPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6+,10-9+,13-12+,16-15+
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SMILES
C(=O)(O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
393.54Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.00Molar
Refractivity
105.27