| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:56 UTC |
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| Update Date | 2025-03-21 18:29:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078846 |
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| Frequency | 42.1 |
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| Structure | |
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| Chemical Formula | C7H8N4O3S |
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| Molecular Mass | 228.0317 |
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| SMILES | Nc1nc(=O)c2c([nH]1)SCC(C(=O)O)N2 |
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| InChI Key | HCFRNOMAYGMIGY-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 | 1,4-thiazinesalkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary alkylarylaminesvinylogous amidesvinylogous thioesters |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidonealkylarylthioetheraryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidevinylogous thioesterpara-thiazineazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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