Structure Database (LMSD)
Common Name
Lumequeic acid
Systematic Name
21Z-triacontenoic acid
Synonyms
- cis-21-triacontenoic acid
- C30:1n-9
- Lumepueic acid
3D model of Lumequeic 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)
QXYCISFUJXCMSU-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C30H58O2/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)32/h9-10H,2-8,11-29H2,1H3,(H,31,32)/b10-9-
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
0
Aromatic Rings
0
Rotatable Bonds
27
Van der Waals Molecular Volume
539.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
10.79
Molar Refractivity
142.49
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.
Click on an edge to display the reaction(s).
![Reactions graph legend](https://lipidmaps.org/assets/images/reactions/Legend_LMSD.png)
Admin
Created at
-
Updated at
25th Apr 2022