| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-25 18:19:43 UTC |
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| Update Date | 2016-11-09 01:17:25 UTC |
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| Accession Number | CHEM022090 |
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| Identification |
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| Common Name | Calcium Gluceptate |
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| Class | Small Molecule |
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| Description | Calcium supplements such as Calcium glucoheptonate are taken by individuals who are unable to get enough calcium in their regular diet or who have a need for more calcium. They are used to prevent or treat several conditions that may cause hypocalcemia (not enough calcium in the blood). The body needs calcium to make strong bones. Calcium is also needed for the heart, muscles, and nervous system to work properly. |
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| Contaminant Sources | - HMDB Contaminants - Urine
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Calcii glucoheptonas | ChEBI | | Calcium (2xi)-D-gluco-heptonate | ChEBI | | Calcium bis[(2xi)-D-glycero-D-gulo-heptonate] | ChEBI | | Calcium bis[(2xi)-D-glycero-D-ido-heptonate] | ChEBI | | Calcium bis[(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate] | ChEBI | | Calcium gluceptate | ChEBI | | Calcium glucoheptonate (1:2) | ChEBI | | Glucoheptonate de calcium | ChEBI | | Glucoheptonato calcico | ChEBI | | Calcium (2xi)-D-gluco-heptonic acid | Generator | | Calcium bis[(2xi)-D-glycero-D-gulo-heptonic acid] | Generator | | Calcium bis[(2xi)-D-glycero-D-ido-heptonic acid] | Generator | | Calcium bis[(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid] | Generator | | Calcium gluceptic acid | Generator | | Calcium glucoheptonic acid (1:2) | Generator | | Glucoheptonic acid de calcium | Generator | | Calcium glucoheptonic acid | Generator | | Calcium glucoheptonate | HMDB, KEGG | | Trimethylene chlorobromide | HMDB | | alpha-Glucoheptonic acid, calcium salt (2:1) | MeSH | | Glucoheptonic acid | MeSH | | alpha-Glucoheptonic acid, potassium salt | MeSH | | Copper glucoheptonate | MeSH | | alpha-Glucoheptonic acid | MeSH | | alpha-Glucoheptonic acid, calcium salt (2:1), heptahydrate | MeSH | | alpha-Glucoheptonic acid, sodium salt | MeSH | | alpha-Glucoheptonic acid, magnesium salt (2:1) | MeSH | | Glucoheptonate | MeSH |
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| Chemical Formula | C14H26CaO16 |
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| Average Molecular Mass | 490.425 g/mol |
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| Monoisotopic Mass | 490.085 g/mol |
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| CAS Registry Number | 29039-00-7 |
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| IUPAC Name | calcium bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate) |
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| Traditional Name | calcium bis((2xi)-D-gluco-heptonate) |
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| SMILES | [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O |
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| InChI Identifier | InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1 |
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| InChI Key | FATUQANACHZLRT-KMRXSBRUSA-L |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Sugar acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Heptose monosaccharide
- Medium-chain hydroxy acid
- Medium-chain fatty acid
- Beta-hydroxy acid
- Hydroxy fatty acid
- Sugar acid
- Fatty acyl
- Fatty acid
- Hydroxy acid
- Monosaccharide
- Carboxylic acid salt
- Secondary alcohol
- Organic calcium salt
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Polyol
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- Organic salt
- Organic zwitterion
- Primary alcohol
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Not Available |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | Not Available |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DB00326 |
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| HMDB ID | HMDB0014471 |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Calcium glucoheptonate |
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| Chemspider ID | Not Available |
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| ChEBI ID | 3314 |
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| PubChem Compound ID | 62859 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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