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
ClassyFire class:	Glycinamide ribonucleotides
ClassyFire subclass:	Glycinamide ribonucleotides
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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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	160913
CHEBI ID:	18349
HMDB ID:	HMDB0002022
KEGG ID:	C03838
Plant Metabolite Hub(Pmhub):	MS000018095

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
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.