| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:13:00 UTC |
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| Update date | 2015-07-20 23:37:17 UTC |
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| Primary ID | FDB017286 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Sodium fumarate |
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| Description | Nutrient supplement
Sodium fumarate, also called disodium fumarate, is a compound with the molecular formula Na2C4H2O4. It is the sodium salt of fumaric acid, used as an acidity regulator in processed foods. Sodium fumarate and fumaric acid are sometimes used as terminal electron acceptors in the cultivation of certain anaerobic microorganisms. It appears as an odourless, white, crystalline powder and is soluble in water. |
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| CAS Number | 7704-73-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| e365 | ChEBI | | Fumaric acid, disodium salt | ChEBI | | Fumarate, disodium salt | Generator | | Sodium fumaric acid | Generator | | 2-Butenedioic acid (E)-, sodium salt | biospider | | Fumaric acid, sodium salt | biospider | | Sodium 2-butenedioate, (E)- | biospider | | Sodium fumarate | db_source |
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| Predicted Properties | |
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| Chemical Formula | C4H2Na2O4 |
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| IUPAC name | disodium (2E)-but-2-enedioate |
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| InChI Identifier | InChI=1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;; |
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| InChI Key | MSJMDZAOKORVFC-SEPHDYHBSA-L |
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| Isomeric SMILES | [Na+].[Na+].[O-]C(=O)\C=C\C([O-])=O |
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| Average Molecular Weight | 160.0358 |
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| Monoisotopic Molecular Weight | 159.974847902 |
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| Classification |
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| Description | belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Dicarboxylic acids and derivatives |
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| Direct Parent | Dicarboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Fatty acyl
- Fatty acid
- Unsaturated fatty acid
- Dicarboxylic acid or derivatives
- Carboxylic acid salt
- Organic alkali metal salt
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic sodium salt
- Organic salt
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties - Experimental |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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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 | splash10-03k9-1900000000-925fc2ebe6a5696f8725 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-4900000000-095c785389defc765899 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0fb9-9000000000-66c2279db1cc40b62ee4 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0900000000-1c579ec1598a9a16d409 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0900000000-1c579ec1598a9a16d409 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-0900000000-1c579ec1598a9a16d409 | JSpectraViewer |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 6364607 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | CVQ85-P:KWY66-P |
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| EAFUS ID | 3438 |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | rw1303191 |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Sodium_fumarate |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | | Flavor | Citations |
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| odorless |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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