Metabolomics Structure Database

 
MW REGNO: 37745
Common Name:5,10-Methenyltetrahydrofolic acid
Systematic Name:(2S)-2-[[4-[(6aR)-3-amino-1-oxo-5,6,6a,7-tetrahydro-2H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate
RefMet Name:5,10-Methenyl-THF
Synonyms: [PubChem Synonyms]
Exact Mass:
455.1553 (neutral)    Calculate m/z:
Formula:C20H21N7O6
InChIKey:MEANFMOQMXYMCT-OLZOCXBDSA-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:c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])N1C[C@H]2CNc3c(c(=O)nc(N)[nH]3)[N+]2=C1
Studies:Available studies (via RefMet name)

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Human Pathway links:

HMDB and KEGG pathways containing this metabolite

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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