| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:09 UTC |
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| Update Date | 2025-03-21 18:32:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093580 |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C9H10N2O2S |
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| Molecular Mass | 210.0463 |
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| SMILES | O=C(O)C1CSC(c2cccnc2)N1 |
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| InChI Key | FSNGLHIMQHWTNF-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthiazolidines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioetherheteroaromatic compoundhydroxypyridinesecondary aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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