Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 06:17:25 UTC |
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Updated at | 2021-07-15 17:35:06 UTC |
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NP-MRD ID | NP0020967 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Phenelfamycin F |
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Provided By | NPAtlas |
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Description | Phenelfamycin F is found in Streptomyces and Streptomyces violaceusniger AB 999F-80. It was first documented in 1988 (PMID: 3192490). Based on a literature review very few articles have been published on (2Z,4E,6E)-7-[(2R,3S,5S)-5-[(2S,3R,6E)-8-{[(2R)-2-[(2R,3S,4R,6S)-2,3-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dien-1-yl]-4-[(2-phenylacetyl)oxy]oxan-2-yl]-1-hydroxy-3-{[(2R,4S,5R,6S)-5-{[(2R,4S,5S,6S)-5-{[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}propylidene]amino}-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid. |
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Structure | |
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Synonyms | Value | Source |
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(2Z,4E,6E)-7-[(2R,3S,5S)-5-[(2S,3R,6E)-8-{[(2R)-2-[(2R,3S,4R,6S)-2,3-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dien-1-yl]-4-[(2-phenylacetyl)oxy]oxan-2-yl]-1-hydroxy-3-{[(2R,4S,5R,6S)-5-{[(2R,4S,5S,6S)-5-{[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}propylidene]amino}-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoate | Generator | LL e19020beta | MeSH | LL-e 19020beta | MeSH | LL-e 19020 beta | MeSH |
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Chemical Formula | C65H95NO21 |
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Average Mass | 1226.4610 Da |
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Monoisotopic Mass | 1225.63966 Da |
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IUPAC Name | (2Z,4E,6E)-7-[(2R,3S,5S)-5-[(2S,3R,4E,6E)-8-[(2S)-2-[(2R,3S,4R,6S)-2,3-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dien-1-yl]-4-[(2-phenylacetyl)oxy]oxan-2-yl]-3-{[(2R,4S,5R,6S)-5-{[(2R,4S,5S,6S)-5-{[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}propanamido]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid |
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Traditional Name | (2Z,4E,6E)-7-[(2R,3S,5S)-5-[(2S,3R,4E,6E)-8-[(2S)-2-[(2R,3S,4R,6S)-2,3-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dien-1-yl]-4-[(2-phenylacetyl)oxy]oxan-2-yl]-3-{[(2R,4S,5R,6S)-5-{[(2R,4S,5S,6S)-5-{[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}propanamido]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid |
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CAS Registry Number | Not Available |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)62(84-53(70)32-43-26-19-17-20-27-43)61(72)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13+,16-15+,24-23+,28-21+,29-18+,30-22-,38-25+/t39-,40-,41-,42-,44+,45-,46+,47-,48-,49-,50-,51-,54+,55-,56+,57+,58-,59+,60-,61-,62-,65+/m0/s1 |
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InChI Key | LNHMLFJFDISYQH-OMNWLEJSSA-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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Classification | Not classified |
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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 | Not Available |
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