| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:10 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188013 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N4O5 |
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| Molecular Mass | 284.1121 |
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| SMILES | CC(=O)Nc1c(NCCC(=O)O)n(C)c(=O)n(C)c1=O |
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| InChI Key | ZHGXNFHNZFNIHA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundspyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesureasvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundamino acidpyrimidonen-arylamidepyrimidineureaorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamidevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminecarboxamide groupbeta amino acid or derivativessecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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