Structure Database (LMSD)

Common Name
12,14-Pentacosadiynoic acid
Systematic Name
12,14-Pentacosadiynoic acid
Synonyms
LM ID
LMFA01030745
Formula
C25H42O2
Exact Mass
Calculate m/z
374.31848
Sum Composition
FA 25:4
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)
WGUBUTPKAGTFAB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H42O2/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/h2-10,15-24H2,1H3,(H,26,27)
SMILES (Click to copy)
C(CCCCCCCCCCC#CC#CCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
6041
CHEBI ID
165451
PubChem CID
9543642

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 445.44
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.51
Molar Refractivity 116.58

Admin

Created at
-
Updated at
25th Apr 2022