Structure Database (LMSD)

Common Name
Tariric acid
Systematic Name
6-octadecynoic acid
Synonyms
  • 6-Octadecynoic acid
  • 6,7-Stearolic acid
  • 6-Stearolic acid
LM ID
LMFA01030453
Status
Active
Exact Mass
Calculate m/z
280.24023
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)
GVZXZHWIIXHZOB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-11,14-17H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCC#CCCCCCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Picramnia (#85238)
Magnoliopsida (#3398)
Sur la constitution de l’acide taririque

Other Databases

Wikipedia
LIPIDAT ID
1785
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.56
Molar Refractivity 85.72

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Created at
-
Updated at
21st Jul 2021