Structure Database (LMSD)
Common Name
Yamanakanic acid
Systematic Name
7Z,10Z,13Z-heneicosatrienoic acid
Synonyms
- C21:3n-8,11,14
3D model of Yamanakanic 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)
NSVDDLBXCXCPDL-ORZIMQNZSA-N
InChi (Click to copy)
InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h8-9,11-12,14-15H,2-7,10,13,16-20H2,1H3,(H,22,23)/b9-8-,12-11-,15-14-
SMILES (Click to copy)
C(CCCCC/C=C\C/C=C\C/C=C\CCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
Aromatic Rings
Rotatable Bonds
16
Van der Waals Molecular Volume
378.88
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.83
Molar Refractivity
100.75
Admin
Created at
26th Jul 2023
Updated at
26th Jul 2023