Structure Database (LMSD)

Common Name
Eicos-7-ynoic acid
Systematic Name
7-eicosynoic acid
Synonyms
  • 7-icosynoic acid
LM ID
LMFA01031144
Status
Active
Exact Mass
Calculate m/z
308.27153
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)
TVFMCMURTRXDMN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-12,15-19H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCC(=O)O)#CCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alvaradoa amorphoides (#85161)
Magnoliopsida (#3398)
Biosynthesis and function of polyacetylenes and allied natural products.,
Prog Lipid Res, 2008
Pubmed ID: 18387369

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 364.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.34
Molar Refractivity 94.96

Reactions

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Created at
-
Updated at
25th Apr 2022