Metabolomics Structure Database

 
MW REGNO: 2024
Common Name:D-Glucaric acid
Systematic Name:2S,3S,4S,5R-tetrahydroxy-hexanedioic acid
RefMet Name:Glucaric acid
Synonyms: [PubChem Synonyms]
Exact Mass:
210.0376 (neutral)    Calculate m/z:
Formula:C6H10O8
InChIKey:DSLZVSRJTYRBFB-LLEIAEIESA-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:[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:33037
LIPID MAPS ID:LMFA01170108
CHEBI ID:16002
HMDB ID:HMDB0000663
KEGG ID:C00818
Chemspider ID:30577
METLIN ID:5633
BMRB ID:bmse000239
NP-MRD ID(NMR):NP0001222
Plant Metabolite Hub(Pmhub):MS000001075

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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