| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:34 UTC |
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| Update Date | 2025-03-25 00:59:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239096 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11N3O3S |
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| Molecular Mass | 217.0521 |
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| SMILES | NC(=O)CCNC(=O)C1CSC(=O)N1 |
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| InChI Key | QLEFYALOAQVEJP-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidesthiazolidinesthiolactones |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarbonic acid derivativeazacyclealpha-amino acid or derivativescarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganoheterocyclic compoundorganooxygen compoundthiazolidine |
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