Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 05:50:38 UTC |
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Updated at | 2021-07-15 16:59:40 UTC |
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NP-MRD ID | NP0008186 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Mycangimycin |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Mycangimycin belongs to the class of organic compounds known as 1,2-dioxolanes. These are organic compounds containing 1,2-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 2. Mycangimycin is found in Streptomyces. It was first documented in 2009 (PMID: 19125624). Based on a literature review very few articles have been published on Mycangimycin (PMID: 24817085). |
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Structure | [H]OC(=O)C([H])([H])[C@@]1([H])OO[C@@]([H])(C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])=C([H])[H])C1([H])[H] InChI=1S/C20H24O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(24-23-18)17-20(21)22/h2-14,18-19H,1,15-17H2,(H,21,22)/b4-3+,6-5-,8-7+,10-9+,12-11-,14-13-/t18-,19-/m0/s1 |
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Synonyms | Value | Source |
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2-[(3S,5S)-5-[(2Z,4Z,6E,8E,10Z,12E)-Pentadeca-2,4,6,8,10,12,14-heptaen-1-yl]-1,2-dioxolan-3-yl]acetate | Generator |
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Chemical Formula | C20H24O4 |
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Average Mass | 328.4080 Da |
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Monoisotopic Mass | 328.16746 Da |
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IUPAC Name | 2-[(3S,5S)-5-[(2Z,4Z,6E,8E,10Z,12E)-pentadeca-2,4,6,8,10,12,14-heptaen-1-yl]-1,2-dioxolan-3-yl]acetic acid |
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Traditional Name | [(3S,5S)-5-[(2Z,4Z,6E,8E,10Z,12E)-pentadeca-2,4,6,8,10,12,14-heptaen-1-yl]-1,2-dioxolan-3-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | OC(=O)C[C@@H]1C[C@H](C\C=C/C=C\C=C\C=C\C=C/C=C/C=C)OO1 |
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InChI Identifier | InChI=1S/C20H24O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(24-23-18)17-20(21)22/h2-14,18-19H,1,15-17H2,(H,21,22)/b4-3+,6-5-,8-7+,10-9+,12-11-,14-13-/t18-,19-/m0/s1 |
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InChI Key | JSGYAPYVMBOAFU-MXUCQTDSSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 1,2-dioxolanes. These are organic compounds containing 1,2-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 2. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Dioxolanes |
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Sub Class | 1,2-dioxolanes |
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Direct Parent | 1,2-dioxolanes |
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Alternative Parents | |
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Substituents | - Ortho-dioxolane
- Dialkyl peroxide
- Oxacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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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