Structure Database (LMSD)

Common Name
Eicos-7-ynoic acid
Systematic Name
7-eicosynoic acid
Synonyms
  • 7-icosynoic acid
LM ID
LMFA01031144
Formula
C20H36O2
Exact Mass
Calculate m/z
308.27153
Sum Composition
FA 20:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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Reactions graph legend

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

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

Other Databases

PubChem CID
20073221

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

Admin

Created at
-
Updated at
25th Apr 2022