Structure database (LMSD)

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LM IDLMFA01030455
Common NameStearolic acid
Systematic Name9-octadecynoic acid
Synonyms9-Octadecynoic acid; 9-Stearolic acid; Steariolic acid
Exact Mass
280.2402 (neutral)    Calculate m/z:
FormulaC18H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesOctadecanoids[FA02]
LIPIDAT ID1787
PubChem CID68167
KEGG IDC08459
CHEBI ID28801
PlantFA ID10073
InChIKeyRGTIBVZDHOMOKC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)
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SMILES
C(CCCCCCCC#CCCCCCCCC)(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
329.62Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.56Molar
Refractivity
85.72