Structure database (LMSD)

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LM IDLMFA01010018
Common NameStearic acid (W)
Systematic Nameoctadecanoic acid
SynonymsCetylacetic acid; Stearate; n-Octadecanoic acid; Octadecanoate; C18:0
Exact Mass
284.2715 (neutral)    Calculate m/z:
FormulaC18H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0018
PubChem Compound ID (CID)5281
METABOLOMICS ID-
KEGG IDC01530
HMDB IDHMDB00827
YMDB ID-
CHEBI ID28842
InChIKeyQIQXTHQIDYTFRH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,1
9,20)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
334.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.33Molar
Refractivity
87.18    
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