Structure Database (LMSD)

Common Name
34:6(16Z,19Z,22Z,25Z,28Z,31Z)
Systematic Name
16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoic acid
Synonyms
  • 34:6(w3): 34:6n3
LM ID
LMFA01030842
Formula
C34H56O2
Exact Mass
Calculate m/z
496.42803
Sum Composition
FA 34:6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Long-chain and very long-chain polyunsaturated fatty acids in ocular aging and age-related macular degeneration,
J. Lipid Res, 2010
Pubmed ID: 20688753

String Representations

InChiKey (Click to copy)
TZKUXMFOWSEBLN-KUBAVDMBSA-N
InChi (Click to copy)
InChI=1S/C34H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-33H2,1H3,(H,35,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(CCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
77497
PubChem CID
52921817
SwissLipids ID
SLM:000001231
Cayman ID
10539

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 595.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.23
Molar Refractivity 160.49

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Created at
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Updated at
25th Apr 2022