Structure Database (LMSD)
Common Name
Urbanic acid
Systematic Name
23Z-nonacosenoic acid
Synonyms
- C29:1n-6
3D model of Urbanic 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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References
String Representations
InChiKey (Click to copy)
JBCIZJAJKPABCV-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C29H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h6-7H,2-5,8-28H2,1H3,(H,30,31)/b7-6-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCC/C=C\CCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
Aromatic Rings
Rotatable Bonds
26
Van der Waals Molecular Volume
522.56
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
10.40
Molar Refractivity
137.87
Admin
Created at
20th Jul 2023
Updated at
20th Jul 2023