Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50971
Common Name:	6,7-dimethyl-8-(1-D-ribityl)lumazine
Systematic Name:	1-deoxy-1-[6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-ribitol
RefMet Name:	6,7-Dimethyl-8-(1-D-ribityl)lumazine
Synonyms:	6,7-Dimethyl-8-(1'-D-ribityl)lumazine; 6,7-Dimethyl-8-ribityllumazine; 6,7-dimethyl-8-(D-ribityl)lumazine; 6,7-dimethyl-8-D-ribityllumazine; DMDRL; RL-6,7-diMe [PubChem Synonyms]
Exact Mass:	326.1226 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C13H18N4O6
InChIKey:	SXDXRJZUAJBNFL-XKSSXDPKSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pteridines and derivatives [C0000109]
ClassyFire subclass:	Pteridines and derivatives [C0000109]
ClassyFire direct parent:	Aromatic heteropolycyclic compounds
SMILES:	Cc1c(C)n(C[C@@H]([C@@H]([C@@H](CO)O)O)O)c2c(c(=O)[nH]c(=O)n2)n1
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	168989
CHEBI ID:	17601
HMDB ID:	HMDB0003826
KEGG ID:	C04332
Plant Metabolite Hub(Pmhub):	MS000018301

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