Structure Database (LMSD)

Common Name
THA
Systematic Name
6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoic acid
Synonyms
  • Nisinic acid
  • C24:6n-3,6,9,12,15,18
  • 24:6n3
LM ID
LMFA01030822
Status
Active
Exact Mass
Calculate m/z
356.27153
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
YHGJECVSSKXFCJ-KUBAVDMBSA-N
InChi (Click to copy)
InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

References

Reference
Peter D. Nichols , Kathryn T. Danaher and J. Anthony Koslow
Occurrence of high levels of tetracosahexaenoic acid in the jellyfish Aurelia sp.
Lipids 38(11) 2003

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Aurelia (#2623399)
Scyphozoa (#6142)
Occurrence of high levels of tetracosahexaenoic acid in the jellyfish Aurelia sp.,
Lipids, 2003
Pubmed ID: 14733367

Other Databases

HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 422.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.33
Molar Refractivity 114.32

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Updated at
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