Structural search and advanced query search is temporarily unavailable. We are working to fix this issue. Thank you for your support and patience.

Record Information
Version	2.0
Creation Date	2015-09-08 17:49:12 -0600
Update Date	2015-09-08 17:49:12 -0600
Secondary Accession Numbers	ECMDB24089
Identification
Name:	2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine
Description
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xb169f710> Close
Synonyms:	Value Source 1-(5'-Phosphoribosyl)-N-formylglycinamidine HMDB 1-Deoxy-1-[2-(formamido)acetimidamido]-D-ribofuranose 5-(dihydrogen phosphate) HMDB 2-(Formamido)-N(1)-(5'-phosphoribosyl)acetamidine HMDB 2-(Formamido)-N(1)-(5-phospho-D-ribosyl)acetamidine HMDB 2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine HMDB 5'-Phosphoribosyl-N-formylglycinamidine HMDB 5'-Phosphoribosylformylglycinamidine HMDB FGAM HMDB N-[2-(Formamido)ethanimidoyl]-5-O-phosphono-D-ribofuranosylamine HMDB [(2R,3S,4R,5R)-5-[(1-Amino-2-formamido-ethylidene)amino]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid HMDB
Chemical Formula:	C6H12N3O8P
Weight:	Average: 285.1485 Monoisotopic: 285.036200887
InChI Key:	OKXISSDNJVDCJE-KKQCNMDGSA-N
InChI:	InChI=1S/C6H12N3O8P/c7-6(8-1-10)9-4-2(11)3(12)5(16-4)17-18(13,14)15/h1-5,11-12H,(H2,13,14,15)(H3,7,8,9,10)/t2-,3+,4-,5-/m1/s1
CAS number:	Not Available
IUPAC Name:	{[(2R,3S,4R,5R)-3,4-dihydroxy-5-[(formamidomethanimidoyl)amino]oxolan-2-yl]oxy}phosphonic acid
Traditional IUPAC Name:	[(2R,3S,4R,5R)-3,4-dihydroxy-5-[(formamidomethanimidoyl)amino]oxolan-2-yl]oxyphosphonic acid
SMILES:	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)O[C@H]1NC(=N)NC=O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
Kingdom	Organic compounds
Super Class	Organic oxygen compounds
Class	Organooxygen compounds
Sub Class	Carbohydrates and carbohydrate conjugates
Direct Parent	Pentoses
Alternative Parents	Monoalkyl phosphates Tetrahydrofurans Secondary alcohols Guanidines 1,2-diols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Carboximidamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Substituents	Pentose monosaccharide Monoalkyl phosphate Organic phosphoric acid derivative Phosphoric acid ester Alkyl phosphate Tetrahydrofuran 1,2-diol Guanidine Secondary alcohol Oxacycle Carboximidamide Carboxylic acid derivative Organoheterocyclic compound Propargyl-type 1,3-dipolar organic compound Organic 1,3-dipolar compound Hydrocarbon derivative Organic oxide Organopnictogen compound Organonitrogen compound Organic nitrogen compound Alcohol Carbonyl group Aliphatic heteromonocyclic compound
Molecular Framework	Aliphatic heteromonocyclic compounds
External Descriptors	Not Available
Physical Properties
State:	Not Available
Charge:	-2
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 7.66 g/L ALOGPS logP -2.1 ALOGPS logP -3.1 ChemAxon logS -1.6 ALOGPS pKa (Strongest Acidic) 1.12 ChemAxon pKa (Strongest Basic) 5.26 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 9 ChemAxon Hydrogen Donor Count 7 ChemAxon Polar Surface Area 181.43 Ų ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 63.23 m³·mol⁻¹ ChemAxon Polarizability 22.69 ų ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	5'-Phosphoribosyl-N-formylglycinamide + Water + L-Glutamine + Adenosine triphosphate + 5'-Phosphoribosyl-N-formylglycineamide > 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine + L-Glutamic acid + Phosphate + Adenosine diphosphate + Hydrogen ion + L-Glutamate + ADP 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine + Adenosine triphosphate > 5-Aminoimidazole ribonucleotide + Phosphate + Adenosine diphosphate + Hydrogen ion + ADP
SMPDB Pathways:	Thiamin diphosphate biosynthesis PW002028 purine nucleotides de novo biosynthesis PW000910 purine nucleotides de novo biosynthesis 1435709748 PW000960 purine nucleotides de novo biosynthesis 2 PW002033
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive splash10-0002-9420000000-66c2fbdfe6543975b34e View in MoNA Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive splash10-0002-9211100000-8c192eb0e668267ee507 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-00ks-9420000000-b3bc27be13e2ee2c7aca View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-000b-9000000000-28deb081791dc8ddc223 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-01pa-9200000000-a89165bc086324c40cbd View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-005i-9320000000-a01fae3be380b9cd9664 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-002o-9000000000-a3f0b5f30c3340cc16d7 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-004i-9000000000-0a0a81a42aac5cb4abcb View in MoNA 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 18413 HMDB ID HMDB0006211 Pubchem Compound ID 22833657 Kegg ID C04640 ChemSpider ID 17216355 Wikipedia ID Not Available BioCyc ID Not Available

Enzymes