Structure database (LMSD)

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LM IDLMFA01010017
Common NameMargaric acid (W)
Systematic Nameheptadecanoic acid
SynonymsHeptadecylic acid; C17:0; Daturic acid; Daturinic acid; Margarinic acid
Exact Mass
270.2559 (neutral)    Calculate m/z:
FormulaC17H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0017
PubChem Compound ID (CID)10465
CHEBI ID32365
PlantFA ID10060
InChIKeyKEMQGTRYUADPNZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(
H,18,19)
SMILESCCCCCCCCCCCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
317.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.94Molar
Refractivity
82.56    
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