Structure Database (LMSD)

Common Name
trans-selacholeic acid
Systematic Name
15E-tetracosenoic acid
Synonyms
  • trans-15-tetracosenoic acid
  • C24:1n-9
LM ID
LMFA01030093
Formula
C24H46O2
Exact Mass
Calculate m/z
366.34978
Sum Composition
FA 24:1
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

Filter by species:
ⓘ 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

String Representations

InChiKey (Click to copy)
GWHCXVQVJPWHRF-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9+
SMILES (Click to copy)
C(CCCCCCCCCCC(=O)O)CC/C=C/CCCCCCCC

Other Databases

CHEBI ID
187998
LIPIDBANK ID
DFA0132
PubChem CID
5282773

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 436.06
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.45
Molar Refractivity 114.79

Admin

Created at
-
Updated at
25th Apr 2022