Structure Database (LMSD)
Systematic Name
4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontadecenoic acid
Synonyms
3D model of
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)
MGAQRGZKQYPGEV-QEXHNFCLSA-N
InChi (Click to copy)
InChI=1S/C34H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24-25,27-28,30-31H,2,5,8,11,14,17,20,23,26,29,32-33H2,1H3,(H,35,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24-,28-27-,31-30-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Actinopterygii
(#7898)
Basic eluent for rapid and comprehensive analysis of fatty acid isomers using reversed-phase high performance liquid chromatography/Fourier transform mass spectrometry.,
J Chromatogr A, 2019
J Chromatogr A, 2019
Pubmed ID:
30598291
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
Aromatic Rings
Rotatable Bonds
22
Van der Waals Molecular Volume
585.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
10.33
Molar Refractivity
160.11
Reactions
Filter by species:
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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).
Admin
Created at
20th Jul 2023
Updated at
20th Jul 2023