Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51242
Common Name:	5’-phosphoribosylglycineamide
Systematic Name:	N-glycyl-D-ribofuranosylamine 5-(dihydrogen phosphate)
RefMet Name:	GAR
Synonyms:	N(1)-(5-phospho-D-ribosyl)glycinamide; Glycineamide ribonucleotide; Glycineamideribotide; N-glycyl-5-O-phosphono-D-ribofuranosylamine [PubChem Synonyms]
Exact Mass:	286.0566 (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:	C7H15N2O8P
InChIKey:	OBQMLSFOUZUIOB-SHUUEZRQSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Glycinamide ribonucleotides [C0001014]
ClassyFire subclass:	Glycinamide ribonucleotides [C0001014]
ClassyFire direct parent:	Aliphatic heteromonocyclic compounds
SMILES:	C(C(=O)N[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O1)O)O)N
Studies:	Available studies (via RefMet name)

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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