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
3D model of Rumenic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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
Lipids, 1998
Pubmed ID:
9727617
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0157
PubChem CID
SwissLipids ID
Cayman ID
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
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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Admin
Created at
-
Updated at
5th Jan 2023