Structure Database (LMSD)

Common Name
4,7,10,13-Docosatetraynoic acid
Systematic Name
4,7,10,13-Docosatetraynoic acid
Synonyms
LM ID
LMFA01030680
Formula
C22H28O2
Exact Mass
Calculate m/z
324.20893
Sum Composition
FA 22:8
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

String Representations

InChiKey (Click to copy)
IPQYPILHQXQNIZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-8,11,14,17,20-21H2,1H3,(H,23,24)
SMILES (Click to copy)
C(CCC#CCC#CCC#CCC#CCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3218
CHEBI ID
178690
PubChem CID
9543595

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 382.98
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.79
Molar Refractivity 99.82

Admin

Created at
-
Updated at
25th Apr 2022