Structure Database (LMSD)

Common Name
6,9,12,15,18,21-Tetracosahexaynoic acid
Systematic Name
6,9,12,15,18,21-Tetracosahexaynoic acid
Synonyms
LM ID
LMFA01030746
Formula
C24H24O2
Exact Mass
Calculate m/z
344.17763
Sum Composition
FA 24:12
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

String Representations

InChiKey (Click to copy)
NLJRNNBATXZRLC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H24O2/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/h2,5,8,11,14,17,20-23H2,1H3,(H,25,26)
SMILES (Click to copy)
C(CCCCC#CCC#CCC#CCC#CCC#CCC#CCC)(=O)O

Other Databases

LIPIDAT ID
6280
CHEBI ID
138497
PubChem CID
9543643

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 407.02
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.01
Molar Refractivity 106.14

Admin

Created at
-
Updated at
25th Apr 2022