Metabolomics Structure Database

 
MW REGNO: 49870
Common Name:Cysteic acid
Systematic Name:(2R)-2-azanyl-3-sulfo-propanoic acid
RefMet Name:Cysteic acid
Synonyms:(2R)-2-amino-3-sulfo-propionic acid [PubChem Synonyms]
Exact Mass:
169.0045 (neutral)    Calculate m/z:
Formula:C3H7NO5S
InChIKey:XVOYSCVBGLVSOL-REOHCLBHSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Alpha amino acids [C0002404]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:C([C@@H](C(=O)O)N)S(=O)(=O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:72886
HMDB ID:HMDB0303991
KEGG ID:C00506
BMRB ID:bmse000380
NP-MRD ID(NMR):NP0002718
Plant Metabolite Hub(Pmhub):MS000006922

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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