Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 18:26:07 UTC |
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Updated at | 2021-08-12 19:51:45 UTC |
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NP-MRD ID | NP0002652 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | N-Acetyl-D-glucosamine 6-phosphate |
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Provided By | BMRB |
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Description | N-Acetyl-D-glucosamine 6-phosphate is found in Escherichia coli. It was first documented in 2008 (PMID: 17984079). Based on a literature review very few articles have been published on N-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-3-yl]ethanimidic acid. |
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Structure | CC(O)=N[C@@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7+,8+/m1/s1 |
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Synonyms | Value | Source |
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N-[(2S,3S,4S,5S,6R)-2,4,5-Trihydroxy-6-[(phosphonooxy)methyl]oxan-3-yl]ethanimidate | Generator |
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Chemical Formula | C8H16NO9P |
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Average Mass | 301.1880 Da |
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Monoisotopic Mass | 301.05627 Da |
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IUPAC Name | {[(2R,3S,4S,5S,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}phosphonic acid |
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Traditional Name | [(2R,3S,4S,5S,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]O[C@@]1([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])N([H])C(=O)C([H])([H])[H] |
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InChI Identifier | InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7+,8+/m1/s1 |
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InChI Key | BRGMHAYQAZFZDJ-OMKQZNDVSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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 | |
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General References | - Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
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