Structure Database (LMSD)

Common Name
3-oxo-eicosanoic acid
Systematic Name
3-oxo-eicosanoic acid
Synonyms
LM ID
LMFA01060134
Formula
C20H38O3
Exact Mass
Calculate m/z
326.282095
Sum Composition
FA 20:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
MZPZMTFDSVTILM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h2-18H2,1H3,(H,22,23)
SMILES (Click to copy)
C(CC(=O)CCCCCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
2222
CHEBI ID
52350
PubChem CID
5312922

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 375.65
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.29
Molar Refractivity 96.81

Admin

Created at
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Updated at
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