| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:50 UTC |
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| Update Date | 2025-03-25 00:55:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210119 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O4S |
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| Molecular Mass | 260.0579 |
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| SMILES | CC(O)C1CS(=O)(=O)c2c([nH]c(N)nc2=O)N1 |
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| InChI Key | QICLFCDWVZNZKR-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholssecondary alkylarylaminessulfonesvinylogous amides |
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| Substituents | alcoholvinylogous amidepara-thiazineazacycleheteroaromatic compoundpyrimidonesecondary aminesecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundsulfone |
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