Showing metabocard for 5-Aminoimidazole (BMDB0003929)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:06:37 UTC
Update Date2020-04-22 15:12:55 UTC
BMDB IDBMDB0003929
Secondary Accession Numbers
  • BMDB03929
Metabolite Identification
Common Name5-Aminoimidazole
Description5-Aminoimidazole belongs to the class of organic compounds known as aminoimidazoles. These are organic compounds containing an amino group linked to an imidazole ring. In cattle, 5-aminoimidazole is involved in the metabolic pathway called the purine metabolism pathway. Based on a literature review a significant number of articles have been published on 5-Aminoimidazole.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
AminoimidazoleKegg
4-AminoimidazoleKegg
5-AminoimidazoleChEBI
Chemical FormulaC3H5N3
Average Molecular Weight83.0919
Monoisotopic Molecular Weight83.048347175
IUPAC Name1H-imidazol-5-amine
Traditional Name5-aminoimidazole
CAS Registry Number4919-03-3
SMILES
NC1=CN=CN1
InChI Identifier
InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)
InChI KeyQRZMXADUXZADTF-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as aminoimidazoles. These are organic compounds containing an amino group linked to an imidazole ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzoles
Sub ClassImidazoles
Direct ParentAminoimidazoles
Alternative Parents
Substituents
  • Aminoimidazole
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.1ALOGPS
logP-0.88ChemAxon
logS0.58ALOGPS
pKa (Strongest Acidic)13.84ChemAxon
pKa (Strongest Basic)8.36ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area54.7 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity22.97 m³·mol⁻¹ChemAxon
Polarizability7.97 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0003929
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023250
KNApSAcK IDNot Available
Chemspider ID470
KEGG Compound IDC05239
BioCyc IDCPD-54
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6989
PubChem Compound484
PDB IDNot Available
ChEBI ID16607
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available