| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:22:19 UTC |
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| Update Date | 2020-04-22 15:17:32 UTC |
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| BMDB ID | BMDB0006471 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Methylisocitric acid |
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| Description | Methylisocitric acid, also known as alpha-methylisocitrate, belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Methylisocitric acid exists in all living species, ranging from bacteria to plants to humans. Based on a literature review very few articles have been published on Methylisocitric acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3-Carboxy-2,3-dideoxy-4-C-methylpentaric acid | ChEBI | | alpha-Methylisocitric acid | ChEBI | | 3-Carboxy-2,3-dideoxy-4-C-methylpentarate | Generator | | a-Methylisocitrate | Generator | | a-Methylisocitric acid | Generator | | alpha-Methylisocitrate | Generator | | Α-methylisocitrate | Generator | | Α-methylisocitric acid | Generator | | Methylisocitrate | Generator | | 3-Hydroxy-1,2,3-butanetricarboxylate | MeSH | | DL-Threo-alpha-methylisocitrate | MeSH | | Threo-alpha-methylisocitrate, (3)H-labeled | MeSH | | (2R,3S)2-Methylisocitrate | HMDB | | (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate | HMDB | | 3-Hydroxy-1,2,3-butanetricarboxylic acid | HMDB | | 3-Hydroxybutane-1,2,3-tricarboxylic acid | HMDB | | D.L-methylisocitrate | HMDB | | DL-Methylisocitric acid | HMDB | | threo-alpha-Methylisocitrate | HMDB, MeSH |
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| Chemical Formula | C7H10O7 |
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| Average Molecular Weight | 206.1501 |
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| Monoisotopic Molecular Weight | 206.042652674 |
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| IUPAC Name | 1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid |
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| Traditional Name | α-methylisocitric acid |
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| CAS Registry Number | Not Available |
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| SMILES | CC(O)(C(CC(O)=O)C(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13) |
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| InChI Key | HHKPKXCSHMJWCF-UHFFFAOYSA-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
- Hydroxy acid
- Alpha-hydroxy acid
- Tertiary 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 | Not Available |
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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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