Structure Database (LMSD)

Common Name
5,8,11,14-Eicosatetraynoic acid
Systematic Name
5,8,11,14-Eicosatetraynoic acid
Synonyms
LM ID
LMFA01030691
Formula
C20H24O2
Exact Mass
Calculate m/z
296.17763
Sum Composition
FA 20:8
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 graph legend

String Representations

InChiKey (Click to copy)
MGLDCXPLYOWQRP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCC#CCC#CCC#CCC#CCCCCC)(=O)O

Other Databases

LIPIDAT ID
3500
CHEBI ID
94483
PubChem CID
1780
Cayman ID
90120
PDB ID
ITY
GuidePharm ID
2669

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 348.38
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.01
Molar Refractivity 90.58

Admin

Created at
-
Updated at
25th Apr 2022