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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-15 22:23:45 UTC
Update Date2022-03-07 02:49:04 UTC
HMDB IDHMDB0000599
Secondary Accession Numbers
  • HMDB00599
Metabolite Identification
Common NameChromium
Description
Structure
Thumb
Synonyms
ValueSource
Chromic ionChEBI
Chromium (III) ionChEBI
CHROMIUM ionChEBI
Chromium(III)ChEBI
CR(3+)ChEBI
ChromeHMDB
Chromium metalHMDB
CrHMDB
Chemical FormulaCr
Average Molecular Weight51.9961
Monoisotopic Molecular Weight51.940511904
IUPAC Namechromium(3+) ion
Traditional Namechromium(3+) ion
CAS Registry Number7440-47-3
SMILES
[Cr+3]
InChI Identifier
InChI=1S/Cr/q+3
InChI KeyBFGKITSFLPAWGI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous transition metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point1900 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.16ChemAxon
pKa (Strongest Acidic)3.09ChemAxon
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
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Chromium[Cr+3]695.1Standard polar33892256
Chromium[Cr+3]231.8Standard non polar33892256
Chromium[Cr+3]52.7Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chromium 10V, Positive-QTOFsplash10-0udi-9000000000-ad2780f1f48b7aca80122016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chromium 20V, Positive-QTOFsplash10-0udi-9000000000-ad2780f1f48b7aca80122016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chromium 40V, Positive-QTOFsplash10-0udi-9000000000-ad2780f1f48b7aca80122016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chromium 10V, Negative-QTOFsplash10-0udi-9000000000-f010964c6795d9f5713a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chromium 20V, Negative-QTOFsplash10-0udi-9000000000-f010964c6795d9f5713a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chromium 40V, Negative-QTOFsplash10-0udi-9000000000-f010964c6795d9f5713a2016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue Locations
  • Epidermis
  • Erythrocyte
  • Hair
  • Leukocyte
  • Liver
Pathways
Normal Concentrations
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.0069 +/- 0.0035 uMAdult (>18 years old)BothMultiple Sclerosis details
BloodDetected and Quantified0.0067 +/- 0.0013 uMAdult (>18 years old)BothParkinson's Disease details
BloodDetected and Quantified0.032 +/- 0.009 uMAdult (>18 years old)BothDiabetes details
SalivaDetected and Quantified0.577 +/- 0.192 uMAdult (>18 years old)Not Specified
Oral squamous cell carcinoma
    • Natheer H. Al-Raw...
details
SalivaDetected and Quantified0.577 +/- 0.192 uMAdult (>18 years old)Not Specified
Oral squamous cell carcinoma
    • Natheer H. Al-Raw...
details
Associated Disorders and Diseases
Disease References
Diabetes mellitus type 2
  1. Stupar J, Vrtovec M, Dolinsek F: Longitudinal hair chromium profiles of elderly subjects with normal glucose tolerance and type 2 diabetes mellitus. Metabolism. 2007 Jan;56(1):94-104. [PubMed:17161231 ]
Multiple sclerosis
  1. Forte G, Visconti A, Santucci S, Ghazaryan A, Figa-Talamanca L, Cannoni S, Bocca B, Pino A, Violante N, Alimonti A, Salvetti M, Ristori G: Quantification of chemical elements in blood of patients affected by multiple sclerosis. Ann Ist Super Sanita. 2005;41(2):213-6. [PubMed:16244395 ]
Parkinson's disease
  1. Forte G, Alimonti A, Pino A, Stanzione P, Brescianini S, Brusa L, Sancesario G, Violante N, Bocca B: Metals and oxidative stress in patients with Parkinson's disease. Ann Ist Super Sanita. 2005;41(2):189-95. [PubMed:16244392 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003516
KNApSAcK IDNot Available
Chemspider ID25743
KEGG Compound IDC19368
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkChromium
METLIN IDNot Available
PubChem Compound27668
PDB IDNot Available
ChEBI ID49544
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000195
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References