Structure Database (LMSD)
Common Name
trans-9-palmitoleic acid
Systematic Name
9E-hexadecenoic acid
Synonyms
- trans-9-hexadecenoic acid
- C16:1n-7
- palmitelaidic acid
3D model of trans-9-palmitoleic 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
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)
SECPZKHBENQXJG-BQYQJAHWSA-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/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
SMILES (Click to copy)
C(/CCCCCC)=C\CCCCCCCC(=O)O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0096
PubChem CID
PlantFA ID
Cayman ID
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
Admin
Created at
-
Updated at
25th Apr 2022