| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:48 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153016 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9N3O4S |
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| Molecular Mass | 231.0314 |
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| SMILES | NC(=O)OC(Cc1c[nH]c(=S)[nH]1)C(=O)O |
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| InChI Key | GISROOLDIHWEJB-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 | azolines |
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| Subclass | imidazolines |
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| Direct Parent | imidazolethiones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbamate esterscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | carbonyl groupthioureacarbonic acid derivativecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundimidazole-2-thionecarbamic acid esterorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazole |
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