Metabolomics Structure Database

 
MW REGNO: 2033
Common Name:Oxoadipic acid
Systematic Name:2-oxo-hexanedioic acid
RefMet Name:Oxoadipic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
160.0372 (neutral)    Calculate m/z:
Formula:C6H8O5
InChIKey:FGSBNBBHOZHUBO-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Dicarboxylic acids [FA0117]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:OC(=O)CCCC(=O)C(O)=O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:71
LIPID MAPS ID:LMFA01170121
CHEBI ID:15753
HMDB ID:HMDB0000225
KEGG ID:C00322
Chemspider ID:70
METLIN ID:5234
MetaCyc ID:2K-ADIPATE
NP-MRD ID(NMR):NP0000260

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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