Structure Database (LMSD)
Common Name
8E-hexadecenoic acid
Systematic Name
8E-hexadecenoic acid
Synonyms
- trans-8-thexadecenoic acid
- C16:1n-8
3D model of 8E-hexadecenoic 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)
NJTVGRDDFBKQLU-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-9H,2-7,10-15H2,1H3,(H,17,18)/b9-8+
SMILES (Click to copy)
C(CCCCCC/C=C/CCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Bos taurus
(#9913)
Mammalia
(#40674)
Characterization and Semiquantitative Analysis of Novel Ultratrace C10-24 Monounsaturated Fatty Acid in Bovine Milkfat by Solvent-Mediated Covalent Adduct Chemical Ionization (CACI) MS/MS.,
J Agric Food Chem, 2020
J Agric Food Chem, 2020
Pubmed ID:
32608227
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
297.66
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.33
Molar Refractivity
77.85
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
6th Jul 2020
Updated at
25th Apr 2022