Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA02000184
Common NameRicinoleic acid (W)
Systematic Name12R-hydroxy-9Z-octadecenoic acid
Synonyms9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-; Ricinoleic acid; 12-D-Hydroxy-9-
cis-octadecenoic acid; 12-Hydroxy-cis-9-octadecenoic acid; 12-Hydroxyoctadeca-
9-enoic acid; Nouracid CS 80; Ricinic acid; Ricinolic acid
Exact Mass
298.2508 (neutral)    Calculate m/z:
FormulaC18H34O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
LIPIDAT ID1806
PubChem CID643684
CHEBI ID28592
PlantFA ID10274
SWISSLIPIDS IDSLM:000501246
CAYMAN ID10009369
InChIKeyWBHHMMIMDMUBKC-QJWNTBNXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,1
7,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
SMILESC(CCCCCCC/C=C\C[C@H](O)CCCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
341.05Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.37Molar
Refractivity
88.99