Structure database (LMSD)

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LM IDLMFA01030002
Common NameOleic acid (W)
Systematic Name9Z-octadecenoic acid
Synonyms9-octadecylenic acid; cis-9-octadecenoic acid; cis-Oleic acid; cis-Oleate;
Oleate; Elaic acid; Elaidoic acid; C18:1n-9; Rapinic acid
Exact Mass
282.2559 (neutral)    Calculate m/z:
FormulaC18H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0111
PubChem Compound ID (CID)445639
KEGG IDC00712
CHEBI ID16196
PlantFA ID10074
InChIKeyZQPPMHVWECSIRJ-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8
,11-17H2,1H3,(H,19,20)/b10-9-
SMILESOC(=O)CCCCCCC/C=CCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
332.26Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.11Molar
Refractivity
87.09