Structure Database (LMSD)

Common Name
Isoricinoleic Acid
Systematic Name
9-hydroxy-12Z-octadecenoic acid
Synonyms
  • 12-Octadecenoic acid, 9-hydroxy-, (Z)-(1)-
  • 9-Hydroxyoctadec-12-enoic acid, (Z)-
  • Strophantus acid
LM ID
LMFA02000149
Formula
C18H34O3
Exact Mass
Calculate m/z
298.250795
Sum Composition
FA 18:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Strophanthus (#52858)
Magnoliopsida (#3398)
230. Fatty acids. Part I. 9-Hydroxyoctadec-12-enoic acid, a new hydroxy-acid occurring in strophanthus sarmentosus seed oil,
J. Chem. Soc., 1952

String Representations

InChiKey (Click to copy)
BNZYDQIAPCVNAT-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,17,19H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6-
SMILES (Click to copy)
C(C/C=C\CCCCC)C(O)CCCCCCCC(=O)O

Other Databases

LIPIDAT ID
4853
CHEBI ID
165774
PubChem CID
5282941

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 341.05
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 88.99

Admin

Created at
-
Updated at
3rd Nov 2021