Structure Database (LMSD)
Common Name
Neonatic acid
Systematic Name
16Z-hexacosenoic acid
Synonyms
- C26:1n-10
3D model of Neonatic 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)
CPJOZNPJFQUMMN-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h10-11H,2-9,12-25H2,1H3,(H,27,28)/b11-10-
SMILES (Click to copy)
C(CCCCCCCCCCCCCC/C=C\CCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
Aromatic Rings
Rotatable Bonds
23
Van der Waals Molecular Volume
470.66
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
9.23
Molar Refractivity
124.02
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
19th Jul 2023
Updated at
20th Jul 2023