Structure Database (LMSD)

Common Name
Deca-2,4,6-triynedioic acid
Systematic Name
Deca-2,4,6-triynedioic acid
Synonyms
LM ID
LMFA01031138
Status
Active
Exact Mass
Calculate m/z
190.02661
Formula
C10H6O4
Abbrev
FA 10:7;O2
Show lipids differing only in stereochemistry/bond geometry
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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
AXNJDXRYHHYANB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H2,(H,11,12)(H,13,14)
SMILES (Click to copy)
C(C(=O)O)CC#CC#CC#CC(=O)O

References

Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub

Other Databases

CHEBI ID
186827
PubChem CID
71437516

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 195.60
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP -0.05
Molar Refractivity 47.83

Admin

Created at
-
Updated at
-