Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110133
Identification
Name: 5-amino-6-(5-phospho-D-ribitylamino)uracil
Description:Not Available
Structure
Thumb
Synonyms:
  • 5-amino-6-(5'-phosphoribitylamino)uracil
  • 5-amino-6-(5-phosphoribitylamino)uracil
  • 5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate
Chemical Formula: C9H15N4O9P
Average Molecular Weight: 356.0733146754
Monoisotopic Molecular Weight: 356.0733146754
InChI Key: RQRINYISXYAZKL-RPDRRWSUSA-L
InChI: InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18)/p-2/t3-,4+,6-/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(NC1(NC(NC(=O)C(N)=1)=O))C(O)C(O)C(O)COP([O-])(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Monosaccharide phosphates
Alternative Parents
Substituents
  • Monosaccharide phosphate
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Hydropyrimidine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Heteroaromatic compound
  • Vinylogous amide
  • Lactam
  • Secondary alcohol
  • Urea
  • Organoheterocyclic compound
  • Polyol
  • Azacycle
  • Secondary amine
  • Primary amine
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Organopnictogen compound
  • Amine
  • Organic nitrogen compound
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a small molecule (CPD-1086)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass354.2108ChemAxon
logP-2.2201ChemAxon
H-bond acceptors13ChemAxon
H-bond donors7ChemAxon
Rotatable bonds8ChemAxon
PSA246.6900ChemAxon
RO5 violations2ChemAxon
RO3 violations5ChemAxon
Refractivity73.1144ChemAxon
Atoms38ChemAxon
Rings1ChemAxon
Heavy atoms23ChemAxon
Hydrogen atoms15ChemAxon
Heteroatoms14ChemAxon
N/O atoms13ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers3ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers3ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
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
PseudoCycCPD-1086