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
C16H30O4
Abbrev
FA 16:1;O2
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]

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
C08260
HMDB ID
HMDB0000672
CHEBI ID
73722
PubChem CID
10459
PlantFA ID
10245
SwissLipids ID
SLM:000000718

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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