| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:14 UTC |
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| Update Date | 2025-03-25 01:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247651 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N3O2S |
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| Molecular Mass | 223.0415 |
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| SMILES | O=C(O)C1NC(=S)NC1c1cccnc1 |
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| InChI Key | XTZNEBNTSGNUAH-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolidinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | imidazolidinecarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridineorganosulfur compoundorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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