Structure database (LMSD)

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LM IDLMFA01020012
Common NameIsoheptadecanoic acid
Systematic Name15-methyl-hexadecanoic acid
Synonyms15-methyl palmitic acid; Isomargaric acid; Subtiloheptadecanoic acid;
Methylpalmitic acid
Exact Mass
270.2559 (neutral)    Calculate m/z:
FormulaC17H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0237
PubChem CID164860
HMDB IDHMDB0061709
PlantFA ID10205
SWISSLIPIDS IDSLM:000000048
InChIKeyIIUXHTGBZYEGHI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1
-2H3,(H,18,19)
SMILESC(CCCCC(C)C)CCCCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
317.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.80Molar
Refractivity
82.49