Structure Database (LMSD)

Common Name
Thapsic acid
Systematic Name
Hexadecanedioic acid
Synonyms
  • Thaspic acid
LM ID
LMFA01170022
Status
Active
Exact Mass
Calculate m/z
286.21441
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)
QQHJDPROMQRDLA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCC(=O)O)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Subcellular localization of hexadecanedioic acid activation in human liver.,
J Lipid Res, 1974
Pubmed ID: 4372285
Thapsia garganica (#79022)
Magnoliopsida (#3398)
“Thapsic acid.” Merriam-Webster.com Dictionary, Merriam-Webster, https://www.merriam-webster.com/dictionary/thapsic%20acid. Accessed 8 Feb. 2021.

Other Databases

LIPIDAT ID
1814
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 315.24
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.62
Molar Refractivity 79.91

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Updated at
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