Structure Database (LMSD)
Common Name
Mangold's acid
Systematic Name
9E,11E-octadecadienoic acid
Synonyms
- trans-9, trans-11-octadecadienoic acid
- C18:2n-7,9
- Isolinoleic acid
- 9(E),11(E)-ODE
3D model of Mangold's acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
9(E),11(E)-Conjugated linoleic acid (9(E),11(E)-CLA) refers to a family of 8 geometric isomers of linoleic acid in which the two double bonds are contiguous. 9(E),11(E)-CLA is the 9,11 all-trans isomer of linoleic acid. CLA was originally identified in ground beef, but it is also present in a variety of dairy products. CLA is effective at reducing mammary tumors in rats at levels as low as 0.1% by weight of their diet.1 [Matreya, LLC. Catalog No. 1181]
This information has been provided by Cayman Chemical
References
1. Ip, C., Scimeca, J.A., and Thompson, H.J. Conjugated linoleic acid. Cancer 74(3), 1050-1054 (1994).
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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String Representations
InChiKey (Click to copy)
JBYXPOFIGCOSSB-XBLVEGMJSA-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/CCCCCC)=C\CCCCCCCC(=O)O
Other Databases
Wikipedia
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0158
PubChem CID
PlantFA 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
Admin
Created at
-
Updated at
5th Jan 2023