Structure Database (LMSD)

Systematic Name
4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontadecenoic acid
Synonyms
LM ID
LMFA01031342
Formula
C34H48O2
Exact Mass
Calculate m/z
488.36543
Sum Composition
FA 34:10
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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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Reactions graph legend

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
Pubmed ID: 30598291

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

Other Databases

PubChem CID
171117702

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

Admin

Created at
20th Jul 2023
Updated at
20th Jul 2023