Structure Database (LMSD)

Common Name
Agonandric acid
Systematic Name
8-hydroxy-11E-octadecen-9-ynoic acid
Synonyms
  • Ximenynolic acid
  • 11-Octadecen-9-ynoic acid, 8-hydroxy-, (E)-
  • Ximenynic acid, 8-hydroxy-
LM ID
LMFA01050307
Status
Active
Exact Mass
Calculate m/z
294.219495
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
OTAWOAZBNLPFQR-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h7-8,17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-7+
SMILES (Click to copy)
C(CCCCCCC(O)C#C/C=C/CCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Agonandra (#50110)
Magnoliopsida (#3398)
Agonandra seed oil – An excellent source of a truly multifunctional fatty acid,
Fett/Lipid, 1998

Other Databases

LIPIDAT ID
4865
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 335.77
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.59
Molar Refractivity 87.53

Admin

Created at
-
Updated at
-