Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51215
Common Name:	N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide
Systematic Name:	N-(N-formylglycyl)-5-O-phosphono-D-ribofuranosylamine
RefMet Name:	FGAR
Synonyms:	[PubChem Synonyms]
Exact Mass:	314.0515 (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:	C8H15N2O9P
InChIKey:	VDXLUNDMVKSKHO-ZRTZXPPTSA-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)NC1[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O1)O)O)NC=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	16048611
CHEBI ID:	18272
HMDB ID:	HMDB0001308
KEGG ID:	C04376
Plant Metabolite Hub(Pmhub):	MS000018317

Calculated physicochemical properties (?):

Heavy Atoms:	20
Rings:	1
Aromatic Rings:	0
Rotatable Bonds:	6
van der Waals Molecular volume:	250.26 Å3 molecule-1
Toplogical Polar Sufrace Area:	176.72 Å2 molecule-1
Hydrogen Bond Donors:	6
Hydrogen Bond Acceptors:	9
logP:	-1.54
Molar Refractivity:	63.63
Fraction sp3 Carbons:	0.75
sp3 Carbons:	6

Human Pathway links:

REACTOME pathways containing this metabolite

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