Structure Database (LMSD)
Common Name
Thapsic acid
Systematic Name
Hexadecanedioic acid
Synonyms
- Thaspic acid
LM ID
LMFA01170022
Formula
Exact Mass
Calculate m/z
286.21441
Sum Composition
Status
Active
3D model of Thapsic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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
Cayman ID
PDB 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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