Structure Database (LMSD)

Common Name
3,9,15-Docosatriynoic acid
Systematic Name
3,9,15-Docosatriynoic acid
Synonyms
LM ID
LMFA01030683
Formula
C22H32O2
Exact Mass
Calculate m/z
328.24023
Sum Composition
FA 22:6
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 graph legend

String Representations

InChiKey (Click to copy)
CMTSTCUCQFCZHU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-6,9-12,15-18,21H2,1H3,(H,23,24)
SMILES (Click to copy)
C(CC#CCCCCC#CCCCCC#CCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3233
CHEBI ID
165463
PubChem CID
9543598

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 388.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.56
Molar Refractivity 101.28

Admin

Created at
-
Updated at
25th Apr 2022