| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:52 UTC |
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| Update Date | 2025-03-21 18:37:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114883 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C9H15N5O3 |
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| Molecular Mass | 241.1175 |
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| SMILES | CCNCC(=O)Nc1c(N)n(C)c(=O)[nH]c1=O |
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| InChI Key | ANPGTAIZGXLWMD-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 | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsn-arylamidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpyrimidonen-arylamidepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminecarbonic acid derivativealpha-amino acid amideazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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