4-(β-D-ribofuranosyl)aminobenzene-5'-phosphate (PAMDB120297)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120297
Identification
Name: 4-(β-D-ribofuranosyl)aminobenzene-5'-phosphate
Description:An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 4-(β-D-ribofuranosyl)aminobenzene 5'-phosphate.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 4-(5-O-phosphonato-β-D-ribofuranosyl)aminobenzene(2−)
  • 4-(5-O-phosphonato-β-D-ribofuranosyl)aniline(2−)
  • 4-(β-D-ribofuranosyl)aminobenzene 5'-phosphate
  • 4-(β-D-ribofuranosyl)aniline 5'-phosphate(2−)
  • 4-aminophenyl β-D-ribofuranoside 5-phosphate(2−)
Chemical Formula: C11H14NO7P
Average Molecular Weight: 303.208
Monoisotopic Molecular Weight: 305.06644
InChI Key: UKBUHWIOGWAJEO-DBIOUOCHSA-L
InChI:InChI=1S/C11H16NO7P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-11,13-14H,5,12H2,(H2,15,16,17)/p-2/t8-,9-,10-,11+/m1/s1
CAS number: Not Available
IUPAC Name:(1S)-1-(4-aminophenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol
Traditional IUPAC Name: Not Available
SMILES:C(OP([O-])(=O)[O-])C2(C(O)C(O)C(C1(C=CC(N)=CC=1))O2)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Pentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • Phenolic glycoside
  • C-glycosyl compound
  • Glycosyl compound
  • Monosaccharide phosphate
  • Aniline or substituted anilines
  • Monocyclic benzene moiety
  • Organic phosphoric acid derivative
  • Benzenoid
  • Alkyl phosphate
  • Phosphoric acid ester
  • Tetrahydrofuran
  • 1,2-diol
  • Secondary alcohol
  • Dialkyl ether
  • Ether
  • Oxacycle
  • Organoheterocyclic compound
  • Amine
  • Hydrocarbon derivative
  • Alcohol
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organonitrogen compound
  • Primary amine
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a small molecule (CPD-7652)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight303.207 g/molPubChem
XLogP3-AA-2.4 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count8 PubChem
Rotatable Bond Count3 PubChem
Exact Mass303.051 g/molPubChem
Monoisotopic Mass303.051 g/molPubChem
Topological Polar Surface Area148 A^2PubChem
Heavy Atom Count20 PubChem
Formal Charge-2 PubChem
Complexity356 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
4-(β-D-ribofuranosyl)aminobenzene-5'-phosphate + 6-Hydroxymethyl-dihydropterin pyrophosphate → Hydrogen ion + 7,8-dihydropterin-6-ylmethyl-4-(β-D-ribofuranosyl)aminobenzene 5'-phosphate + diphosphate
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • Scott JW, Rasche ME (2002)Purification, overproduction, and partial characterization of beta-RFAP synthase, a key enzyme in the methanopterin biosynthesis pathway. Journal of bacteriology 184, Pubmed: 12142414
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI72778
    PUBCHEM25203858