Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 20:33:07 UTC |
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Updated at | 2022-09-07 20:33:07 UTC |
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NP-MRD ID | NP0255895 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2s)-2-amino-4-{[(1r,2s)-1-[(3s,5s)-3,5-dimethoxy-2-methyl-6-oxocyclohex-1-en-1-yl]-1-hydroxypropan-2-yl]-c-hydroxycarbonimidoyl}butanoic acid |
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Description | Lascivol belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. (2s)-2-amino-4-{[(1r,2s)-1-[(3s,5s)-3,5-dimethoxy-2-methyl-6-oxocyclohex-1-en-1-yl]-1-hydroxypropan-2-yl]-c-hydroxycarbonimidoyl}butanoic acid is found in Tricholoma lascivum. It was first documented in 2020 (PMID: 32576949). Based on a literature review very few articles have been published on Lascivol. |
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Structure | CO[C@H]1C[C@H](OC)C(=O)C([C@@H](O)[C@H](C)N=C(O)CC[C@H](N)C(O)=O)=C1C InChI=1S/C17H28N2O7/c1-8-11(25-3)7-12(26-4)16(22)14(8)15(21)9(2)19-13(20)6-5-10(18)17(23)24/h9-12,15,21H,5-7,18H2,1-4H3,(H,19,20)(H,23,24)/t9-,10-,11-,12-,15-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H28N2O7 |
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Average Mass | 372.4180 Da |
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Monoisotopic Mass | 372.18965 Da |
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IUPAC Name | (2S)-2-amino-4-{[(1R,2S)-1-[(3S,5S)-3,5-dimethoxy-2-methyl-6-oxocyclohex-1-en-1-yl]-1-hydroxypropan-2-yl]-C-hydroxycarbonimidoyl}butanoic acid |
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Traditional Name | (2S)-2-amino-4-{[(1R,2S)-1-[(3S,5S)-3,5-dimethoxy-2-methyl-6-oxocyclohex-1-en-1-yl]-1-hydroxypropan-2-yl]-C-hydroxycarbonimidoyl}butanoic acid |
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CAS Registry Number | Not Available |
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SMILES | CO[C@H]1C[C@H](OC)C(=O)C([C@@H](O)[C@H](C)N=C(O)CC[C@H](N)C(O)=O)=C1C |
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InChI Identifier | InChI=1S/C17H28N2O7/c1-8-11(25-3)7-12(26-4)16(22)14(8)15(21)9(2)19-13(20)6-5-10(18)17(23)24/h9-12,15,21H,5-7,18H2,1-4H3,(H,19,20)(H,23,24)/t9-,10-,11-,12-,15-/m0/s1 |
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InChI Key | WVTLJZPVEOVDLM-VSBZFQJLSA-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 glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine 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 | Glutamine and derivatives |
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Alternative Parents | |
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Substituents | - Glutamine or derivatives
- Alpha-amino acid
- L-alpha-amino acid
- Cyclohexenone
- N-acyl-amine
- Fatty acyl
- Fatty amide
- Amino acid
- Carboxamide group
- Cyclic ketone
- Secondary carboxylic acid amide
- Secondary alcohol
- Ketone
- Carboxylic acid
- Ether
- Monocarboxylic acid or derivatives
- Dialkyl ether
- Alcohol
- Organonitrogen compound
- Primary aliphatic amine
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Organic nitrogen compound
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic 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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