| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:43:49 UTC |
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| Update Date | 2016-11-09 01:09:20 UTC |
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| Accession Number | CHEM004402 |
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| Identification |
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| Common Name | Ammonium tartrate |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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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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| 2,3-Dihydroxybutanedioate diamine | Generator | | (R*,r*)-(+-)-2,3-dihydroxybutanedioic acid, monoammonium monosodium salt | MeSH | | MN(III) tartrate | MeSH | | Aluminum tartrate | MeSH | | Ammonium tartrate | MeSH | | Calcium tartrate | MeSH | | Calcium tartrate tetrahydrate | MeSH | | Potassium tartrate | MeSH | | Seignette salt | MeSH | | Sodium ammonium tartrate | MeSH | | Sodium potassium tartrate | MeSH | | Sodium tartrate | MeSH | | Stannous tartrate | MeSH | | Tartaric acid | MeSH | | Tartaric acid, ((r*,r*)-(+-))-isomer | MeSH | | Tartaric acid, (r*,s*)-isomer | MeSH | | Tartaric acid, (R-(r*,r*))-isomer | MeSH | | Tartaric acid, (S-(r*,r*))-isomer | MeSH | | Tartaric acid, ammonium sodium salt, (1:1:1) salt, (r*,r*)-(+-)-isomer | MeSH | | Tartaric acid, calcium salt, (R-r*,r*)-isomer | MeSH | | Tartaric acid, monoammonium salt, (R-(r*,r*))-isomer | MeSH | | Tartrate | MeSH |
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| Chemical Formula | C4H12N2O6 |
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| Average Molecular Mass | 184.148 g/mol |
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| Monoisotopic Mass | 184.070 g/mol |
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| CAS Registry Number | 3164-29-2 |
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| IUPAC Name | 2,3-dihydroxybutanedioic acid diamine |
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| Traditional Name | (.+-.)-tartaric acid diamine |
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| SMILES | N.N.OC(C(O)C(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3 |
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| InChI Key | NGPGDYLVALNKEG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Hydroxy acids and derivatives |
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| Sub Class | Beta hydroxy acids and derivatives |
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| Direct Parent | Beta hydroxy acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Beta-hydroxy acid
- Short-chain hydroxy acid
- Fatty acid
- Dicarboxylic acid or derivatives
- Monosaccharide
- 1,2-diol
- Carboxylic acid salt
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Organic nitrogen compound
- Organooxygen compound
- Organic salt
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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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 | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0900000000-9fbb8af3b0efd9fda54a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0900000000-9fbb8af3b0efd9fda54a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-0900000000-9fbb8af3b0efd9fda54a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0900000000-7f59e2adf6c6e1933d90 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0900000000-7f59e2adf6c6e1933d90 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-0900000000-7f59e2adf6c6e1933d90 | Spectrum |
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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 | Not Available |
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| HMDB ID | Not Available |
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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 | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 2724224 |
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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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