| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:48:28 UTC |
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| Update Date | 2020-04-22 15:08:57 UTC |
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| BMDB ID | BMDB0001874 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | D-threo-Isocitric acid |
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| Description | D-threo-Isocitric acid, also known as isocitrate or isocitrIC ACID, belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. D-threo-Isocitric acid exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on D-threo-Isocitric acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (+)-Threo-isocitric acid | ChEBI | | ISOCITRIC ACID | ChEBI | | (+)-Threo-isocitrate | Generator | | ISOCITRate | Generator | | D-Threo-isocitrate | Generator | | (1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate | HMDB | | (1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylic acid | HMDB | | (2R,3S)-Isocitrate | HMDB | | 3-Carboxy-2,3-dideoxy-L-threo-pentaric acid | HMDB | | D-(+)-threo-Isocitric acid(2R,3S)-isocitric acid | HMDB | | DS-threo-Isocitrate | HMDB | | DS-threo-Isocitric acid | HMDB | | ICI | HMDB | | ICT | HMDB | | threo-D-(+)-Isocitrate | HMDB | | threo-D-(+)-Isocitric acid | HMDB | | threo-DS(+)-Isocitrate | HMDB | | threo-DS(+)-Isocitric acid | HMDB | | threo-Isocitrate | HMDB | | Isocitric acid, trisodium salt | MeSH, HMDB | | Isocitric acid, (11)C-labeled | MeSH, HMDB | | Isocitric acid, disodium salt | MeSH, HMDB | | Isocitric acid, calcium salt | MeSH, HMDB | | Isocitric acid, potassium salt | MeSH, HMDB | | Isocitric acid, sodium salt | MeSH, HMDB |
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| Chemical Formula | C6H8O7 |
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| Average Molecular Weight | 192.1235 |
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| Monoisotopic Molecular Weight | 192.02700261 |
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| IUPAC Name | (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid |
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| Traditional Name | threo-DS(+)-isocitrate |
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| CAS Registry Number | 6061-97-8 |
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| SMILES | O[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1 |
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| InChI Key | ODBLHEXUDAPZAU-ZAFYKAAXSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl 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 | Tricarboxylic acids and derivatives |
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| Direct Parent | Tricarboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Tricarboxylic acid or derivatives
- Beta-hydroxy acid
- Monosaccharide
- Hydroxy acid
- Alpha-hydroxy acid
- Secondary alcohol
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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