Structure Database (LMSD)

Common Name
Undecanedioic acid
Systematic Name
Undecanedioic acid
Synonyms
  • Undecandioic acid
  • 1,11-Undecanedioic acid
LM ID
LMFA01170007
Status
Active
Exact Mass
Calculate m/z
216.13616
Formula
C11H20O4
Abbrev
FA 11:1;O2
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]

String Representations

InChiKey (Click to copy)
LWBHHRRTOZQPDM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
SMILES (Click to copy)
C(CCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
6867
HMDB ID
HMDB0000888
CHEBI ID
73713
PubChem CID
15816
PlantFA ID
10765

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 228.74
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.67
Molar Refractivity 56.82

Admin

Created at
-
Updated at
-