Structure Database (LMSD)

Common Name
Rumenic acid
Systematic Name
9Z,11E-octadecadienoic acid
Synonyms
  • cis-9, trans-11-octadecadienoic acid
  • bovinic acid
  • C18:2n-7,9
  • 9(Z)-11(E)-ODE
LM ID
LMFA01030118
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

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
Bos taurus (#9913)
Mammalia (#40674)
Rumenic acid: a proposed common name for the major conjugated linoleic acid isomer found in natural products.,
Lipids, 1998
Pubmed ID: 9727617
Lactiplantibacillus plantarum (#1590)
Bacilli (#91061)
No citation found

String Representations

InChiKey (Click to copy)
JBYXPOFIGCOSSB-GOJKSUSPSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-
SMILES (Click to copy)
C(/C=C\C=C\CCCCCC)CCCCCCC(=O)O

Other Databases

Wikipedia
Rumenic_acid
KEGG ID
C04056
HMDB ID
HMDB0003797
CHEBI ID
32798
LIPIDBANK ID
DFA0157
PubChem CID
5280644
SwissLipids ID
SLM:000001204
Cayman ID
90140

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

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Created at
-
Updated at
5th Jan 2023