Metabolomics Structure Database

 
MW REGNO: 50198
Common Name:5-formimidoyltetrahydrofolic acid
Systematic Name:N-[4-({[(6S)-2-amino-5-formimidoyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
RefMet Name:5-Formimidoyl-THF
Synonyms:5-formimidoyltetrahydrofolate [PubChem Synonyms]
Exact Mass:
472.1819 (neutral)    Calculate m/z:
Formula:C20H24N8O6
InChIKey:YCWUVLPMLLBDCU-STQMWFEESA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Pteridines and derivatives [C0000109]
ClassyFire subclass:Pterins and derivatives [C0000110]
ClassyFire direct parent:Tetrahydrofolic acids [C0002954]
SMILES:N=CN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:135398659
CHEBI ID:15639
HMDB ID:HMDB0001534
KEGG ID:C00664
MetaCyc ID:CPD-671
Plant Metabolite Hub(Pmhub):MS000016929

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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