Structure Database (LMSD)

Common Name
5Z,9Z,21Z-hexacosatrienoic acid
Systematic Name
5Z,9Z,21Z-hexacosatrienoic acid
Synonyms
LM ID
LMFA01031125
Formula
C26H46O2
Exact Mass
Calculate m/z
390.34978
Sum Composition
FA 26:3
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
Trikentrion (#484443)
Demospongiae (#6042)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

String Representations

InChiKey (Click to copy)
ZQDRALTVWXQWTF-KSJLKCSLSA-N
InChi (Click to copy)
InChI=1S/C26H46O2/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/h5-6,17-18,21-22H,2-4,7-16,19-20,23-25H2,1H3,(H,27,28)/b6-5-,18-17-,22-21-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCC/C=C\CCCC)(=O)O

Other Databases

PubChem CID
21774063

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 465.38
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.78
Molar Refractivity 123.84

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Created at
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Updated at
25th Apr 2022