Structure database (LMSD)

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LM IDLMFA01020424
Common Name14,19-dimethyl-eicosanoic-acid
Systematic Name14,19-dimethyleicosanoic acid
Synonyms14,19-diMe-20:0
Exact Mass
340.3341 (neutral)    Calculate m/z:
FormulaC22H44O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
AbbrevFA 22:0
PubChem CID134812101
InChIKeyVJKLVILAZFDWDJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H44O2/c1-20(2)16-14-15-18-21(3)17-12-10-8-6-4-5-7-9-11-13-19-22(23)24/h20-21H,4-19H2,1-3H3,(H,23,24)
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SMILES
C(CCCCCCCCCCCCC(C)CCCCC(C)C)(=O)O
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StatusActive
ReferencesA Novel Fatty Acid, 12,17-Dimethyloctadecanoic Acid, from the Extremophile Thermogemmatispora sp. (Strain T81). M. Vyssotski, J. Ryan, K. Lagutin, H. Wong, X. Morgan and M. Stott. Lipids. Volume 47, Issue 6, June 2012, pp.601–611
https://link.springer.com/article/10.1007/s11745-012-3668-z
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
404.10Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.60Molar
Refractivity
105.51