| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:28:42 UTC |
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| Updated at | 2020-11-18 16:35:00 UTC |
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| CannabisDB ID | CDB000281 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 2-C-Methylaldotetronic acid |
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| Description | 2-C-Methylaldotetronic acid, belongs to the class of organic compounds known as branched acids. 2-C-Methylaldotetronic acid is a naturally occurring organic compound found in plants such as cannabis and peyote. It is a lactone-forming acid (probably the erythro form) present in considerable amounts in cannabis plants (PMID: 6991645 ). There are two known 2-C-Methylaldotetronic acid isomers including L- and D- configurations. 2-C Methylaldotetronic acid is the open acid form of 2-c-methyl-Aldotetronolactone. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2-Methyl-L-threonate | Generator |
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| Chemical Formula | C5H10O5 |
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| Average Molecular Weight | 150.13 |
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| Monoisotopic Molecular Weight | 150.0528 |
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| IUPAC Name | (2R,3S)-2,3,4-trihydroxy-2-methylbutanoic acid |
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| Traditional Name | (2R,3S)-2,3,4-trihydroxy-2-methylbutanoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@](O)([C@@H](O)CO)C(O)=O |
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| InChI Identifier | InChI=1S/C5H10O5/c1-5(10,4(8)9)3(7)2-6/h3,6-7,10H,2H2,1H3,(H,8,9)/t3-,5+/m0/s1 |
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| InChI Key | UXJDESUVPBNUTB-WVZVXSGGSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Sugar acids and derivatives |
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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
- Sugar acid
- Alpha-hydroxy acid
- Hydroxy acid
- Fatty acyl
- Monosaccharide
- Fatty acid
- Tertiary alcohol
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Polyol
- Organic oxide
- Alcohol
- Carbonyl group
- Primary alcohol
- Hydrocarbon derivative
- 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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|
Not Available | | 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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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 61601335 |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 102150672 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | - Turner CE, Elsohly MA, Boeren EG: Constituents of Cannabis sativa L. XVII. A review of the natural constituents. J Nat Prod. 1980 Mar-Apr;43(2):169-234. doi: 10.1021/np50008a001. [PubMed:6991645 ]
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