| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:33:19 UTC |
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| Update Date | 2020-04-22 15:48:46 UTC |
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| BMDB ID | BMDB0012156 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3-Isopropylmalate |
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| Description | 3-Isopropylmalic acid, also known as 3-isopropylmalate, belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Based on a literature review a small amount of articles have been published on 3-Isopropylmalic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2R,3S)-2-Hydroxy-3-isopropylsuccinic acid | ChEBI | | (2R,3S)-3-Carboxy-2-hydroxy-4-methylpentanoic acid | ChEBI | | 2-D-Threo-hydroxy-3-carboxy-isocaproate | ChEBI | | 2-D-Threo-hydroxy-3-carboxyisocaproic acid | ChEBI | | 3-Carboxy-2-hydroxy-4-methylpentanoate | ChEBI | | 3-Isopropylmalate | ChEBI | | (2R,3S)-2-Hydroxy-3-isopropylsuccinate | Generator | | (2R,3S)-3-Carboxy-2-hydroxy-4-methylpentanoate | Generator | | 2-D-Threo-hydroxy-3-carboxy-isocaproic acid | Generator | | 2-D-Threo-hydroxy-3-carboxyisocaproate | Generator | | 3-Carboxy-2-hydroxy-4-methylpentanoic acid | Generator | | 3-Isopropylmalic acid | Generator | | (2R,3S)-2-Hydroxy-3-(propan-2-yl)butanedioate | HMDB | | (2R,3S)-2-Hydroxy-3-(propan-2-yl)butanedioic acid | HMDB | | (2R,3S)-3-Isopropylmalate | HMDB | | (2R,3S)-3-Isopropylmalic acid | HMDB | | 3-3-Isopropylmalic acid | HMDB | | IPM | HMDB | | beta-Isopropylmalate, erythro-(L)-isomer | MeSH, HMDB | | beta-Isopropylmalate | MeSH, HMDB | | (2R,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid | HMDB | | 2-Hydroxy-3-(1-methylethyl)butanedioic acid | HMDB | | Isopropylmalate | HMDB | | Isopropylmalic acid | HMDB | | beta-Isopropylmalic acid | HMDB | | β-Isopropylmalic acid | HMDB |
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| Chemical Formula | C7H12O5 |
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| Average Molecular Weight | 176.1672 |
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| Monoisotopic Molecular Weight | 176.068473494 |
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| IUPAC Name | (2R,3S)-2-hydroxy-3-(propan-2-yl)butanedioic acid |
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| Traditional Name | (2R,3S)-3-isopropylmalic acid |
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| CAS Registry Number | 921-28-8 |
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| SMILES | CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1 |
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| InChI Key | RNQHMTFBUSSBJQ-CRCLSJGQSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. |
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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 | Hydroxy fatty acids |
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| Alternative Parents | |
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| Substituents | - Beta-hydroxy acid
- Branched fatty acid
- Hydroxy fatty acid
- Short-chain hydroxy acid
- Methyl-branched fatty acid
- Alpha-hydroxy acid
- Hydroxy acid
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- 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 | - Adiposome
- Cell membrane
- Cytoplasm
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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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