Structure Database (LMSD)

Common Name
cis-Gadoleic acid
Systematic Name
9Z-eicosenoic acid
Synonyms
  • cis-9-eicosenoic acid
  • cis-9-icosenoic acid
  • C20:1n-11
  • Gadoleic acid
  • Gondoleic acid
  • 9Z-eicosenic acid
LM ID
LMFA01030084
Formula
C20H38O2
Exact Mass
Calculate m/z
310.28718
Sum Composition
FA 20:1
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
Gadus morhua (#8049)
Actinopteri (#186623)
Ueber die Trennung der Fettsäuren des Dorschleber-Oels,
Ber.Deut.Chem.Ges., 1906

String Representations

InChiKey (Click to copy)
LQJBNNIYVWPHFW-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C\CCCCCCCCCC

Other Databases

Wikipedia
Gadoleic_acid
HMDB ID
HMDB0062436
CHEBI ID
32419
LIPIDBANK ID
DFA0123
PubChem CID
5282767
PlantFA ID
10129
Cayman ID
33186

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 366.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.89
Molar Refractivity 96.32

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Created at
-
Updated at
9th Jun 2022