Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38828
Common Name:	2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine
Systematic Name:	{[(2R,3S,4R,5R)-3,4-dihydroxy-5-[(formamidomethanimidoyl)amino]oxolan-2-yl]oxy}phosphonic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	285.0362 (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:	C6H12N3O8P
InChIKey:	OKXISSDNJVDCJE-KKQCNMDGSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Pentoses [C0001497]
SMILES:	C(=O)NC(=N)N[C@H]1[C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O
Studies:	-

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External database links:

PubChem CID:	22833657
CHEBI ID:	18413
HMDB ID:	HMDB0006211
KEGG ID:	C04640
Chemspider ID:	17216355
METLIN ID:	3442
MetaCyc ID:	5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE
Plant Metabolite Hub(Pmhub):	MS000018436

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