Np mrd loader

Showing NP-Card for Bismuth (NP0334704)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2024-09-10 19:36:02 UTC
Updated at2024-09-10 19:36:03 UTC
NP-MRD IDNP0334704
Secondary Accession NumbersNone
Natural Product Identification
Common NameBismuth
DescriptionBismuth, also known as bi(3+) or bisumth(3+) ion, belongs to the class of inorganic compounds known as homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom. Bismuth is possibly neutral. Outside of the human body, Bismuth is found, on average, in the highest concentration within milk (cow). This could make bismuth a potential biomarker for the consumption of these foods. Bismuth was first documented in 1989 (PMID: 2682129). A bismuth cation having a net electric charge of +3 (PMID: 8428432) (PMID: 10755130) (PMID: 14530269).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0334704 (Bismuth)


  Mrv0541 02231219252D          

  1  0  0  0  0  0            999 V2000
   11.1625  -12.7300    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   3
M  END
Download

3D MOL for NP0334704 (Bismuth)

Download
3D SDF for NP0334704 (Bismuth)

  Mrv0541 02231219252D          

  1  0  0  0  0  0            999 V2000
   11.1625  -12.7300    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   3
M  END
> <DATABASE_ID>
NP0334704

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Bi+3]

> <INCHI_IDENTIFIER>
InChI=1S/Bi/q+3

> <INCHI_KEY>
JDIBGQFKXXXXPN-UHFFFAOYSA-N

> <FORMULA>
Bi

> <MOLECULAR_WEIGHT>
208.9804

> <EXACT_MASS>
208.980383241

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bismuth(3+) ion

> <JCHEM_LOGP>
0.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bismuth(3+) ion

> <JCHEM_VEBER_RULE>
1

$$$$

Download
3D-SDF for NP0334704 (Bismuth)
Download
PDB for NP0334704 (Bismuth)
HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Bi   UNK     0      20.837 -23.763   0.000  0.00  0.00          Bi+3
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

Download
3D PDB for NP0334704 (Bismuth)
Download
SMILES for NP0334704 (Bismuth)
[Bi+3]
Download
INCHI for NP0334704 (Bismuth)
InChI=1S/Bi/q+3
Download
View in JSmol
Synonyms
ValueSource
Bi(3+)ChEBI
Bismuth(III) cationChEBI
Bisumth(3+) ionChEBI
BiHMDB
Bismuth-209HMDB
Chemical FormulaBi
Average Mass208.9804 Da
Monoisotopic Mass208.98038 Da
IUPAC Namebismuth(3+) ion
Traditional Namebismuth(3+) ion
CAS Registry NumberNot Available
SMILES
[Bi+3]
InChI Identifier
InChI=1S/Bi/q+3
InChI KeyJDIBGQFKXXXXPN-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous post-transition metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous post-transition metal compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous post-transition metal
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.15ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0002196  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB022898  
KNApSAcK IDNot Available
Chemspider ID94857  
KEGG Compound IDC15471  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBismuth  
METLIN IDNot Available
PubChem Compound105143  
PDB IDNot Available
ChEBI ID85545  
Good Scents IDNot Available
References
General References
  1. Ateshkadi A, Lam NP, Johnson CA: Helicobacter pylori and peptic ulcer disease. Clin Pharm. 1993 Jan;12(1):34-48. [PubMed:8428432  ] 
  2. Ysart G, Miller P, Crews H, Robb P, Baxter M, De L'Argy C, Lofthouse S, Sargent C, Harrison N: Dietary exposure estimates of 30 elements from the UK Total Diet Study. Food Addit Contam. 1999 Sep;16(9):391-403. doi: 10.1080/026520399283876. [PubMed:10755130  ] 
  3. Pannequin J, Kovac S, Tantiongco JP, Norton RS, Shulkes A, Barnham KJ, Baldwin GS: A novel effect of bismuth ions: selective inhibition of the biological activity of glycine-extended gastrin. J Biol Chem. 2004 Jan 23;279(4):2453-60. doi: 10.1074/jbc.M309806200. Epub 2003  Oct 6. [PubMed:14530269  ] 
  4. Slikkerveer A, de Wolff FA: Pharmacokinetics and toxicity of bismuth compounds. Med Toxicol Adverse Drug Exp. 1989 Sep-Oct;4(5):303-23. doi: 10.1007/BF03259915. [PubMed:2682129  ]