Structure Database (LMSD)

Common Name
TrHA
Systematic Name
5Z,8Z,11Z,14Z,17Z,20Z-tricosahexaenoic acid
Synonyms
LM ID
LMFA01030853
Formula
C23H34O2
Exact Mass
Calculate m/z
342.25588
Sum Composition
FA 23:6
Status
Curated
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
Amphidinium carterae (#2961)
Dinophyceae (#2864)
Efficient synthesis of the very-long-chain n-3 fatty acids, tetracosahexaenoic acid (C24:6n-3) and tricosahexaenoic acid (C23:6n-3).,
Lipids, 2011
Pubmed ID: 21347745

String Representations

InChiKey (Click to copy)
GGTVEFDAPOKWMQ-KUBAVDMBSA-N
InChi (Click to copy)
InChI=1S/C23H34O2/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/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-22H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
173193
PubChem CID
44390819

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 405.56
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.94
Molar Refractivity 109.70

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Created at
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Updated at
25th Apr 2022