Structure Database (LMSD)
Common Name
13Z-octadecenoic acid
Systematic Name
13Z-octadecenoic acid
Synonyms
- C18:1n-5
3D model of 13Z-octadecenoic 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
cis-13-Octadecenoic acid is a monounsaturated fatty acid that has been found in bovine milk fat.1
This information has been provided by Cayman Chemical
References
1. Shingfield, K.J., Ahvenjärvi, S., Toivonen, V., et al. Effect of fish oil on biohydrogenation of fatty acids and milk fatty acid content in cows. Anim. Sci. 77(1), 165-179 (2003).
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)
BDLLSHRIFPDGQB-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\CCCC)(=O)O
Other Databases
LIPIDAT ID
8614
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
332.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.11
Molar Refractivity
87.09
Admin
Created at
-
Updated at
9th Jun 2022