| Record Information |
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| Version | 2.0 |
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| Created at | 2025-05-28 09:49:56 UTC |
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| Updated at | 2025-05-30 00:08:42 UTC |
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| NP-MRD ID | NP0351078 |
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| Natural Product DOI | https://doi.org/10.57994/4067 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | N-acetyl-Z-L-fusarinine A |
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| Description | Based on a literature review very few articles have been published on N-acetyl-Z-L-fusarinine A. |
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| Structure | CC(=O)NC(CCCN(O)C(=O)\C=C(\C)CCO)C(=O)OCC\C(C)=C/C(=O)N(O)CCCC(N)C(O)=O InChI=1/C24H40N4O10/c1-16(8-12-29)14-21(31)28(37)11-5-7-20(26-18(3)30)24(35)38-13-9-17(2)15-22(32)27(36)10-4-6-19(25)23(33)34/h14-15,19-20,29,36-37H,4-13,25H2,1-3H3,(H,26,30)(H,33,34)/b16-14-,17-15- |
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| Synonyms | Not Available |
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| Chemical Formula | C24H40N4O10 |
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| Average Mass | 544.6020 Da |
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| Monoisotopic Mass | 544.27444 Da |
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| IUPAC Name | 2-amino-5-[(2Z)-5-({5-[(2Z)-N,5-dihydroxy-3-methylpent-2-enamido]-2-acetamidopentanoyl}oxy)-N-hydroxy-3-methylpent-2-enamido]pentanoic acid |
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| Traditional Name | 2-amino-5-[(2Z)-5-({5-[(2Z)-N,5-dihydroxy-3-methylpent-2-enamido]-2-acetamidopentanoyl}oxy)-N-hydroxy-3-methylpent-2-enamido]pentanoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CC(=O)NC(CCCN(O)C(=O)\C=C(\C)CCO)C(=O)OCC\C(C)=C/C(=O)N(O)CCCC(N)C(O)=O |
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| InChI Identifier | InChI=1/C24H40N4O10/c1-16(8-12-29)14-21(31)28(37)11-5-7-20(26-18(3)30)24(35)38-13-9-17(2)15-22(32)27(36)10-4-6-19(25)23(33)34/h14-15,19-20,29,36-37H,4-13,25H2,1-3H3,(H,26,30)(H,33,34)/b16-14-,17-15- |
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| InChI Key | RIGKXJRLESSEDY-RYOQUFEFNA-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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| HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, experimental) | mariana.montanares@gmail.com | Not Available | Mariana Montanares | 2025-05-28 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Pseugogymnoascus verrucosus | | |
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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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