Structure database (LMSD)

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LM IDLMFA01020008
Common NameSarcinic acid
Systematic Name12-methyl-tetradecanoic acid
Synonyms12-methyl myristic acid; Anteisopentadecanoic acid
Exact Mass
242.2246 (neutral)    Calculate m/z:
FormulaC15H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0233
PubChem CID21672
CHEBI ID39251
PlantFA ID10212
CAYMAN ID24817
InChIKeyXKLJLHAPJBUBNL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(
H,16,17)
SMILESC(CC(C)CC)CCCCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
283.00Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.02Molar
Refractivity
73.26