| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:36 UTC |
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| Update Date | 2025-03-21 18:37:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114245 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C8H13N5O3 |
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| Molecular Mass | 227.1018 |
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| SMILES | CC(N)C(=O)Nc1c(N)[nH]c(=O)n(C)c1=O |
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| InChI Key | MJZLTAUMOOXLHT-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesn-arylamidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpyrimidonen-arylamidepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundalanine or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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