| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:27:19 UTC |
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| Update Date | 2016-11-09 01:09:57 UTC |
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| Accession Number | CHEM007556 |
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| Identification |
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| Common Name | STARCH, FOOD, MODIFIED: ACETYLATED DISTARCH ADIPATE |
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| Class | Small Molecule |
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| Description | A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of adipic acid. |
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| Contaminant Sources | - EAFUS Chemicals
- FooDB Chemicals
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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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| Adipate dianion | ChEBI | | Hexan-1,6-dicarboxylate | ChEBI | | Hexanedioate | ChEBI | | Hexanedioic acid, ion(2-) | ChEBI | | O2C(CH2)4CO2 dianion | ChEBI | | Adipic acid dianion | Generator | | Hexan-1,6-dicarboxylic acid | Generator | | Hexanedioic acid | Generator | | Hexanedioate, ion(2-) | Generator | | Adipic acid(2-) | Generator | | Adipic acid | Generator | | Adipic acid, calcium salt | MeSH | | Adipic acid, sodium salt | MeSH | | Sodium adipate | MeSH | | Adipic acid, cu salt | MeSH | | Adipic acid, MG salt (1:1) | MeSH | | Adipic acid, nickel salt | MeSH | | Adipic acid, potassium salt | MeSH | | Adipic acid, cu(+2) salt | MeSH | | Adipic acid, disodium salt | MeSH | | Diammonium adipate | MeSH | | Magnesium adipate | MeSH | | Adipic acid, cu(+2) salt (1:1) | MeSH | | Adipic acid, diammonium salt | MeSH | | Adipic acid, monoammonium salt | MeSH | | Ammonium adipate | MeSH |
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| Chemical Formula | C6H8O4 |
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| Average Molecular Mass | 144.127 g/mol |
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| Monoisotopic Mass | 144.043 g/mol |
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| CAS Registry Number | 63798-35-6 |
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| IUPAC Name | hexanedioate |
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| Traditional Name | adipate |
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| SMILES | [O-]C(=O)CCCCC([O-])=O |
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| InChI Identifier | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2 |
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| InChI Key | WNLRTRBMVRJNCN-UHFFFAOYSA-L |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acids and conjugates |
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| Direct Parent | Medium-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Medium-chain fatty acid
- Dicarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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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 | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0900000000-02c2cc094e21e916c3c9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000t-1900000000-bf4b26cd1769bfc8bd08 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4l-9300000000-4c4c79cb64424eb2fb28 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0f6x-1900000000-4349b0b8365ee3a55dc8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udl-3900000000-961c6c09cbaae0c60cb3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pb9-9300000000-af14e7e0618709c82778 | 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 | ADIPATE |
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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 | 17128 |
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| PubChem Compound ID | 200164 |
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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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