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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 04:12:27 UTC
Update Date2021-09-24 04:12:27 UTC
HMDB IDHMDB0303732
Secondary Accession NumbersNone
Metabolite Identification
Common NameCopper(II) gluconate
DescriptionCopper D-gluconate belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Based on a literature review very few articles have been published on Copper D-gluconate.
Structure
Thumb
Synonyms
ValueSource
Copper D-gluconic acidGenerator
Copper(II) gluconic acidGenerator
Chemical FormulaC12H22CuO14
Average Molecular Weight453.841
Monoisotopic Molecular Weight453.030556491
IUPAC Namecopper(2+) ion bis(2,3,4,5,6-pentahydroxyhexanoate)
Traditional Namecopper(2+) ion bis(2,3,4,5,6-pentahydroxyhexanoate)
CAS Registry NumberNot Available
SMILES
[Cu++].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O
InChI Identifier
InChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
InChI KeyOCUCCJIRFHNWBP-UHFFFAOYSA-L
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassMedium-chain hydroxy acids and derivatives
Direct ParentMedium-chain hydroxy acids and derivatives
Alternative Parents
Substituents
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Monosaccharide
  • Fatty acyl
  • Fatty acid
  • Carboxylic acid salt
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic transition metal salt
  • Polyol
  • Carbonyl group
  • Organic oxygen compound
  • Organic copper salt
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Alcohol
  • Primary alcohol
  • Organic salt
  • Organic zwitterion
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+213.92832859911
AllCCS[M+H-H2O]+212.16632859911
AllCCS[M+Na]+215.99132859911
AllCCS[M+NH4]+215.53432859911
AllCCS[M-H]-177.0132859911
AllCCS[M+Na-2H]-177.82932859911
AllCCS[M+HCOO]-178.85332859911

Predicted Kovats Retention Indices

Not Available
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB020127
KNApSAcK IDNot Available
Chemspider ID84020
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound93070
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available