Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51377
Common Name:	7-hydroxy-6-methyl-8-(1-D-ribityl)lumazine
Systematic Name:	1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol
RefMet Name:	7-Hydroxy-6-methyl-8-(1-D-ribityl)lumazine
Synonyms:	1-deoxy-1-(3,4-dihydro-7-hydroxy-6-methyl-2,4-dioxo-8(2H)-pteridinyl)-D-Ribitol; 7-hydroxy-6-methyl-8-D-ribityllumazine; Masuda's compound V; RL-6-Me-7-OH [PubChem Synonyms]
Exact Mass:	328.1019 (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:	C12H16N4O7
InChIKey:	COXMGTTXHPRZBO-BBVRLYRLSA-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(n(C[C@@H]([C@@H]([C@@H](CO)O)O)O)c2c(c(=O)[nH]c(=O)n2)n1)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	440869
CHEBI ID:	27581
HMDB ID:	HMDB0004256
KEGG ID:	C05995
Plant Metabolite Hub(Pmhub):	MS000213549

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