Structure Database (LMSD)
Common Name
4Z-hexadecenoic acid
Systematic Name
4Z-hexadecenoic acid
Synonyms
- C16:1n-12
3D model of 4Z-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)
OXGMPGKZDZPDIF-SEYXRHQNSA-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/h12-13H,2-11,14-15H2,1H3,(H,17,18)/b13-12-
SMILES (Click to copy)
C(CC/C=C\CCCCCCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Ozone-enabled fatty acid discovery reveals unexpected diversity in the human lipidome.,
Nat Commun, 2023
Nat Commun, 2023
Pubmed ID:
37402773
Baikalospongia bacillifera
(#83851)
Demospongiae
(#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Chem Phys Lipids, 2003
Pubmed ID:
12691847
Other Databases
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
-
Updated at
16th Jul 2023