| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:27 UTC |
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| Update Date | 2025-03-25 01:01:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248132 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O3S |
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| Molecular Mass | 243.0678 |
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| SMILES | NC(=O)CC1NC(=O)C2CSCCN2C1=O |
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| InChI Key | BACJAFPRQDWVBQ-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 2,5-dioxopiperazinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativeslactamsn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidestertiary carboxylic acid amidesthiomorpholines |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactam2,5-dioxopiperazinealiphatic heteropolycyclic compoundorganic oxidedioxopiperazinepiperazinetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,4-thiazinaneazacycledialkylthioethern-alkylpiperazinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioether1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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