| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:59:19 UTC |
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| Update Date | 2025-03-24 14:07:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00768850 |
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| Frequency | 2.0 |
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| Structure | |
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| Chemical Formula | C3H3N3O2S |
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| Molecular Mass | 144.9946 |
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| SMILES | O=[N+]([O-])c1c[nH]c(=S)[nH]1 |
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| InChI Key | PYMLPJZYIBKGGI-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 | azoles |
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| Subclass | imidazoles |
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| Direct Parent | nitroimidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthioureas |
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| Substituents | thioureaaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundimidazole-2-thioneorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidenitroimidazolec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitroaromatic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganic hyponitrite |
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