Structure Database (LMSD)

Common Name
Eicosanedioic acid
Systematic Name
Eicosanedioic acid
Synonyms
LM ID
LMFA01170035
Formula
C20H38O4
Exact Mass
Calculate m/z
342.277011
Sum Composition
FA 20:1;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pinus radiata (#3347)
Pinopsida (#58019)
Constituent acids of Pinus radiata stem cutin,
Phytochemistry, 1982
Pyrococcus furiosus (#2261)
Thermococci (#183968)
Unusual fatty acid compositions of the hyperthermophilic archaeon Pyrococcus furiosus and the bacterium Thermotoga maritima.,
J Bacteriol, 1997
Pubmed ID: 9098079

String Representations

InChiKey (Click to copy)
JJOJFIHJIRWASH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

Other Databases

LIPIDAT ID
3465
CHEBI ID
73728
PubChem CID
75502
PlantFA ID
10247
PDB ID
A1B90

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 384.44
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.18
Molar Refractivity 98.38

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Created at
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Updated at
23rd Apr 2025