| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:21 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225193 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N5O4S |
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| Molecular Mass | 283.0375 |
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| SMILES | Nc1nc(=O)c2c([nH]1)SCC(C(=O)C(N)C(=O)O)=N2 |
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| InChI Key | AQKIXDNCZKCGEV-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 acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1,4-thiazinesalkylarylthioethersamino acidsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonesvinylogous amidesvinylogous thioesters |
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| Substituents | beta-hydroxy ketoneketiminecarbonyl groupcarboxylic acidamino acidiminepyrimidonealkylarylthioetheraryl thioetherbeta-keto acidpyrimidinepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidevinylogous thioesterpara-thiazineazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compound |
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