| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:53 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153217 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O5S |
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| Molecular Mass | 287.0576 |
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| SMILES | NC(=O)CCC1NC(=O)C2SCC(C(=O)O)N2C1=O |
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| InChI Key | KASWNJGZZSTYPU-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty amideshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidestertiary carboxylic acid amidesthiazolidinesthiodioxopiperazinesthiohemiaminal derivatives |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouplactamcarboxylic acidfatty amidealpha-amino acid or derivatives2,5-dioxopiperazinealiphatic heteropolycyclic compoundorganic oxidedioxopiperazinepiperazinetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundthiodioxopiperazineorganoheterocyclic compoundazacycledialkylthioethern-alkylpiperazinecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioether1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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