Structure Database (LMSD)

Common Name
6-Eicosynoic acid
Systematic Name
Eicos-6-ynoic acid
Synonyms
LM ID
LMFA01031063
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)
HLNQNCPNBDSXTO-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/h2-13,16-19H2,1H3,(H,21,22)
SMILES (Click to copy)
C(O)(=O)CCCCC#CCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alvaradoa amorphoides (#85161)
Magnoliopsida (#3398)
Acetylenic acids of Alvaradoa amorphoides seed oil.,
Lipids, 1973
Pubmed ID: 27519761

Other Databases

PubChem CID
PlantFA ID

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 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.34
Molar Refractivity 94.96

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022