Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	201112
Common Name:	FAICAR
Systematic Name:	[(2R,3S,4R,5R)-5-(4-carbamoyl-5-formamido-imidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
RefMet Name:	FAICAR
Synonyms:	5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide; 5-formamidoimidazole-4-carboxamide ribotide [PubChem Synonyms]
Exact Mass:	366.0577 (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:	C10H15N4O9P
InChIKey:	ABCOOORLYAOBOZ-KQYNXXCUSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues
ClassyFire class:	Imidazole ribonucleosides and ribonucleotides
ClassyFire subclass:	1-ribosyl-imidazolecarboxamides
ClassyFire direct parent:	1-ribosyl-imidazolecarboxamides
SMILES:	C([C@@H]1[C@H]([C@H]([C@H](n2cnc(C(=O)N)c2NC=O)O1)O)O)OP(=O)(O)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:	166760
CHEBI ID:	18381
HMDB ID:	HMDB0001439
KEGG ID:	C04734
Chemspider ID:	145893
Plant Metabolite Hub(Pmhub):	MS000018480

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