N2-formyl-N1-(5-phospho-β-D-ribosyl)glycinamide (PAMDB110152)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110152
Identification
Name: N2-formyl-N1-(5-phospho-β-D-ribosyl)glycinamide
Description:Dianion of N2-formyl-N1-(5-phospho-D-ribosyl)glycinamide.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 5'-phosphoribosyl-N-formylglycineamide
  • 5'-P-ribosyl-N-formylglycineamide
  • 5'-phosphoribosyl-N-formylglycinamide
  • FGAR
  • 5-phosphoribosyl-N-formalglycineamide
  • 5'-phosphoribosyl-formylglycinamide
Chemical Formula: C8H13N2O9P
Average Molecular Weight: 312.17
Monoisotopic Molecular Weight: 314.0515166008
InChI Key: VDXLUNDMVKSKHO-XVFCMESISA-L
InChI: InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/p-2/t4-,6-,7-,8-/m1/s1
CAS number: Not Available
IUPAC Name:N-(N-formylglycyl)-5-O-phosphonato-D-ribofuranosylamine
Traditional IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-formamidoacetamido)oxolan-2-yl]methoxyphosphonic acid
SMILES:C(NC=O)C(=O)NC1(C(O)C(O)C(COP([O-])(=O)[O-])O1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of chemical entities known as glycinamide ribonucleotides. These are compounds in which the amide N atom of glycineamide is linked to the C-1 of a ribosyl (or deoxyribosyl) moiety. Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety.
Kingdom Chemical entities
Super ClassOrganic compounds
Class Nucleosides, nucleotides, and analogues
Sub ClassGlycinamide ribonucleotides
Direct Parent Glycinamide ribonucleotides
Alternative Parents
Substituents
  • Glycinamide-ribonucleotide
  • Pentose-5-phosphate
  • Pentose phosphate
  • N-formyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • N-formyl-alpha-amino acid
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Monosaccharide
  • Phosphoric acid ester
  • Oxolane
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxamide group
  • 1,2-diol
  • Carboxylic acid derivative
  • Oxacycle
  • Organoheterocyclic compound
  • Alcohol
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:-2
Melting point: Not Available
Experimental Properties:
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility6.52 mg/mLALOGPS
logP-2.3ALOGPS
logP-3.9ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)1.23ChemAxon
pKa (Strongest Basic)-1.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area174.65 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity60.25 m3·mol-1ChemAxon
Polarizability25.72 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
10-formyl-tetrahydrofolate + N1-(5-phospho-β-D-ribosyl)glycinamide → Hydrogen ion + tetrahydrofolate + N2-formyl-N1-(5-phospho-β-D-ribosyl)glycinamide
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-9121000000-70e7f7e392d67c9062d7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-9110000000-24b14d3360fd37fa0b5aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9100000000-6c2f243f9e36f7267013View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-01r6-8914000000-411b5cf47e3e7e5511fdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9200000000-fc9464d8ad7b3b1ac820View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-ccc93e5e04249a7f1425View in MoNA
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI58426
HMDBHMDB01308
IAF126043690
KEGGC04376
MetaboLightsMTBLC58426
PubChem25245380