Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 19:01:43 UTC |
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Updated at | 2022-09-07 19:01:43 UTC |
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NP-MRD ID | NP0254761 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2r)-2-{[(2z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid |
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Description | (2R)-2-{[(2Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. (2r)-2-{[(2z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid is found in Anthoceros agrestis. Based on a literature review very few articles have been published on (2R)-2-{[(2Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid. |
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Structure | OC(=O)CC[C@@H](N=C(O)\C=C/C1=CC=C(O)C=C1)C(O)=O InChI=1S/C14H15NO6/c16-10-4-1-9(2-5-10)3-7-12(17)15-11(14(20)21)6-8-13(18)19/h1-5,7,11,16H,6,8H2,(H,15,17)(H,18,19)(H,20,21)/b7-3-/t11-/m1/s1 |
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Synonyms | Value | Source |
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(2R)-2-{[(2Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}pentanedioate | Generator |
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Chemical Formula | C14H15NO6 |
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Average Mass | 293.2750 Da |
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Monoisotopic Mass | 293.08994 Da |
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IUPAC Name | (2R)-2-{[(2Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid |
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Traditional Name | (2R)-2-{[(2Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid |
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CAS Registry Number | Not Available |
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SMILES | OC(=O)CC[C@@H](N=C(O)\C=C/C1=CC=C(O)C=C1)C(O)=O |
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InChI Identifier | InChI=1S/C14H15NO6/c16-10-4-1-9(2-5-10)3-7-12(17)15-11(14(20)21)6-8-13(18)19/h1-5,7,11,16H,6,8H2,(H,15,17)(H,18,19)(H,20,21)/b7-3-/t11-/m1/s1 |
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InChI Key | PWTQKGRAHFUSAR-KGHNQEBZSA-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 glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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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 | Glutamic acid and derivatives |
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Alternative Parents | |
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Substituents | - Glutamic acid or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Styrene
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Dicarboxylic acid or derivatives
- Benzenoid
- Carboximidic acid
- Carboximidic acid derivative
- Carboxylic acid
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic nitrogen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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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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