Metabolomics Structure Database

 
MW REGNO: 37524
Common Name:5-Methylthioribose 1-phosphate
Systematic Name:[(3R,4S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] dihydrogen phosphate
RefMet Name:5-Methylthioribose 1-phosphate
Synonyms:{[(3R,4S)-3,4-dihydroxy-5-[(methylsulfanyl)methyl]oxolan-2-yl]oxy}phosphonic acid [PubChem Synonyms]
Exact Mass:
260.0120 (neutral)    Calculate m/z:
Formula:C6H13O7PS
InChIKey:JTFITTQBRJDSTL-WATOWXBHSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Pentoses [C0001497]
SMILES:CSCC1OC(OP(=O)(O)O)[C@H](O)[C@@H]1O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:53477720
CHEBI ID:27859
HMDB ID:HMDB0000963
KEGG ID:C04188
METLIN ID:5909
MetaCyc ID:CPD-444
Plant Metabolite Hub(Pmhub):MS000018238

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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