| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:45 UTC |
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| Update Date | 2025-03-25 01:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253357 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N5O3S |
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| Molecular Mass | 267.0426 |
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| SMILES | Nc1nc2nc(CSCC(=O)O)cnc2c(=O)[nH]1 |
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| InChI Key | NUGVPNANDZYERK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrazinespyrimidonessulfenyl compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidpyrimidoneorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpterinsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrazinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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