| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:09 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149122 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O5S |
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| Molecular Mass | 260.0467 |
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| SMILES | O=C(O)CCC1SCC2C(=O)NC(O)C(=O)N12 |
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| InChI Key | JWCVDSYOLZLPQZ-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 2,5-dioxopiperazinesalkanolaminesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidslactamsmonocarboxylic acids and derivativesn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary carboxylic acid amidesthia fatty acidsthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidalpha-amino acid or derivatives2,5-dioxopiperazinecarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidedioxopiperazinepiperazinetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalkanolamineazacycledialkylthioethern-alkylpiperazinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioether1,4-diazinanehybrid peptidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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