Record Information |
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Version | 1.0 |
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Created at | 2022-09-02 19:29:56 UTC |
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Updated at | 2022-09-02 19:29:56 UTC |
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NP-MRD ID | NP0161348 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-(1s,2s)-coronamic acid |
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Description | (1S,2S)-1-amino-2-ethylcyclopropanecarboxylic acid, also known as 1-AEC, belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. (+)-(1s,2s)-coronamic acid is found in Pseudomonas syringae. Based on a literature review very few articles have been published on (1S,2S)-1-amino-2-ethylcyclopropanecarboxylic acid. |
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Structure | InChI=1S/C6H11NO2/c1-2-4-3-6(4,7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-,6-/m0/s1 |
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Synonyms | Value | Source |
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(+)-(1S,2S)-Coronamic acid | ChEBI | (+)-(1S,2S)-Coronamate | Generator | (1S,2S)-1-Amino-2-ethylcyclopropanecarboxylate | Generator | 1-Amino-2-ethylcyclopropane-1-carboxylic acid, 2H-labeled | MeSH | 1-Amino-2-ethylcyclopropane-1-carboxylic acid, (1R-cis)-isomer | MeSH | 1-Amino-2-ethylcyclopropane-1-carboxylic acid, (1R-trans)-isomer | MeSH | 1-Amino-2-ethylcyclopropane-1-carboxylic acid, (trans)-(+-)-isomer | MeSH | 1-Amino-2-ethylcyclopropane-1-carboxylic acid, (trans)-isomer | MeSH | 1-Amino-2-ethylcyclopropane-1-carboxylic acid, (1S-cis)-isomer | MeSH | 1-Amino-2-ethylcyclopropane-1-carboxylic acid, (1S-trans)-isomer | MeSH | 1-AEC | MeSH | 1-Amino-2-ethylcyclopropane-1-carboxylic acid | MeSH | 1-Amino-2-ethylcyclopropane-1-carboxylic acid, (cis)-(+-)-isomer | MeSH |
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Chemical Formula | C6H11NO2 |
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Average Mass | 129.1590 Da |
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Monoisotopic Mass | 129.07898 Da |
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IUPAC Name | (1S,2S)-1-amino-2-ethylcyclopropane-1-carboxylic acid |
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Traditional Name | (+)-(1S,2S)-coronamic acid |
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CAS Registry Number | Not Available |
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SMILES | CC[C@H]1C[C@@]1(N)C(O)=O |
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InChI Identifier | InChI=1S/C6H11NO2/c1-2-4-3-6(4,7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-,6-/m0/s1 |
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InChI Key | RLHIWMRQDUCBDO-NJGYIYPDSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. |
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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 | Amino acids, peptides, and analogues |
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Direct Parent | D-alpha-amino acids |
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Alternative Parents | |
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Substituents | - D-alpha-amino acid
- 1-aminocyclopropane-1-carboxylic acid or derivatives
- Cyclopropanecarboxylic acid
- Cyclopropanecarboxylic acid or derivatives
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Primary aliphatic amine
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | - 1-amino-2-ethylcyclopropanecarboxylic acid (CHEBI:18513 )
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Physical Properties |
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State | Not Available |
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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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