N-(5-phosphoribosyl)-anthranilate (PAMDB110142)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110142
Identification
Name: N-(5-phosphoribosyl)-anthranilate
Description:An organophosphate oxoanion resulting from deprotonation of the phosphate and carboxy groups of N-(5-phospho-β-D-ribosyl)anthranilic acid.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • N-(5-phospho-D-ribosyl)-anthranilate
  • N-(5-phospho-β-D-ribosyl)-anthranilate
  • 5-phosphoribosyl-anthranilate
  • 5-P-ribosyl-anthranilate
  • 5'-phosphoribosyl-anthranilate
  • 5'-P-ribosyl-anthranilate
  • N-(5-phosphoribosyl)-anthranilate
Chemical Formula: C12H13NO9P
Average Molecular Weight: 346.21
Monoisotopic Molecular Weight: 349.0562676277
InChI Key: PMFMJXPRNJUYMB-GWOFURMSSA-K
InChI: InChI=1S/C12H16NO9P/c14-9-8(5-21-23(18,19)20)22-11(10(9)15)13-7-4-2-1-3-6(7)12(16)17/h1-4,8-11,13-15H,5H2,(H,16,17)(H2,18,19,20)/p-3/t8-,9-,10-,11-/m1/s1
CAS number: Not Available
IUPAC Name:N-(2-carboxylatophenyl)-β-D-ribofuranosylamine 5-phosphate
Traditional IUPAC Name: Not Available
SMILES:C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)NC2(C=CC=CC(C(=O)[O-])=2))
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
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Benzoic acid or derivatives
  • Benzoic acid
  • Benzoyl
  • Phenylalkylamine
  • Aniline or substituted anilines
  • Secondary aliphatic/aromatic amine
  • Monocyclic benzene moiety
  • Organic phosphoric acid derivative
  • Benzenoid
  • Alkyl phosphate
  • Phosphoric acid ester
  • Vinylogous amide
  • Tetrahydrofuran
  • Secondary alcohol
  • Amino acid or derivatives
  • Amino acid
  • 1,2-diol
  • Secondary amine
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Alcohol
  • Amine
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a small molecule (N-5-PHOSPHORIBOSYL-ANTHRANILATE)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight346.208 g/molPubChem
XLogP3-AA-0.7 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count10 PubChem
Rotatable Bond Count4 PubChem
Exact Mass346.033 g/molPubChem
Monoisotopic Mass346.033 g/molPubChem
Topological Polar Surface Area174 A^2PubChem
Heavy Atom Count23 PubChem
Formal Charge-3 PubChem
Complexity452 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count4 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI18277
IAF126043555
KEGGC04302
PubChem25245690