Structure database (LMSD)

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LM IDLMFA01030179
Common Name8,12,16,19-docosatetraenoic acid
Systematic Name8,12,16,19-docosatetraenoic acid
Synonyms8, 12, 16, 19 (20)-docosatetraenoic acid; C22:4n-3,6,10,14
Exact Mass
332.2715 (neutral)    Calculate m/z:
FormulaC22H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 22:4
LIPIDBANK IDDFA0218
PubChem CID5282845
CHEBI ID165486
InChIKeySGTUDMPUJCDZHD-RDQFZKTJSA-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/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-21H2,1H3,(H,23,24)/b4-3+,7-6+,11-10+,15-14+
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SMILES
C(C/C=C/CC/C=C/C/C=C/CC)/C=C/CCCCCCC(=O)O
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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