Structure Database (LMSD)

Common Name
8-methoxy-13-hydroxy-9,11-octadecadienoic acid
Systematic Name
8-methoxy-13-hydroxy-9,11-octadecadienoic acid
Synonyms
LM ID
LMFA01080002
Status
Active
Exact Mass
Calculate m/z
326.24571
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)
FPDXRJMUHIDIMS-FVIOEUFFSA-N
InChi (Click to copy)
InChI=1S/C19H34O4/c1-3-4-7-12-17(20)13-10-11-15-18(23-2)14-8-5-6-9-16-19(21)22/h10-11,13,15,17-18,20H,3-9,12,14,16H2,1-2H3,(H,21,22)/b13-10+,15-11+
SMILES (Click to copy)
C(/C=C/C(O)CCCCC)=C\C(OC)CCCCCCC(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 364.50
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.05
Molar Refractivity 95.59

Admin

Created at
-
Updated at
-