Structure database (LMSD)

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LM IDLMFA01140046
Common Name13,14-methylene-docosanoic acid
Systematic Name13,14-methylene-docosanoic acid
SynonymsCyclopropanedodecanoic acid, 2-octyl-
Exact Mass
352.3341 (neutral)    Calculate m/z:
FormulaC23H44O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID57388420
PlantFA ID10828
InChIKeyKTAYKDBBVGXYBG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H44O2/c1-2-3-4-5-11-14-17-21-20-22(21)18-15-12-9-7-6-8-10-13-16-19-2
3(24)25/h21-22H,2-20H2,1H3,(H,24,25)
SMILESC1(CCCCCCCCCCCC(O)=O)CC1CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
409.04Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.75Molar
Refractivity
108.01