| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:30 UTC |
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| Update Date | 2025-03-25 00:45:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149958 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N4O2S |
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| Molecular Mass | 216.0681 |
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| SMILES | CSc1nnc(CC(N)C(=O)O)n1C |
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| InChI Key | PLEBWIFAFWTXQO-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 | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstriazoles |
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| Substituents | triazolecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compound1,2,4-triazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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