Structure Database (LMSD)

Common Name
21:2(5Z,14Z)
Systematic Name
5Z,14Z-heneicosadienoic acid
Synonyms
  • C21:2n-7,16
LM ID
LMFA01030862
Formula
C21H38O2
Exact Mass
Calculate m/z
322.28718
Sum Composition
FA 21:2
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
Abyssogena phaseoliformis (#1871145)
Bivalvia (#6544)
Identification of novel n-4 series polyunsaturated fatty acids in a deep-sea clam, Calyptogena phaseoliformis.,
J Chromatogr A, 2007
Pubmed ID: 17604037

String Representations

InChiKey (Click to copy)
CQDJOZCFFGVJDD-FHXPHMTISA-N
InChi (Click to copy)
InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h7-8,16-17H,2-6,9-15,18-20H2,1H3,(H,22,23)/b8-7-,17-16-
SMILES (Click to copy)
C(CCC/C=C\CCCCCCC/C=C\CCCCCC)(=O)O

Other Databases

PubChem CID
52921833

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 381.52
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.05
Molar Refractivity 100.84

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Created at
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Updated at
25th Apr 2022