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
Status
Active
Exact Mass
Calculate m/z
310.28718
Formula
C20H38O2
Abbrev
FA 20:1
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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

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

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

Reactions

Filter by species:
ⓘ 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.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
9th Jun 2022