| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:42 UTC |
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| Update Date | 2025-03-25 00:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221493 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O6S |
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| Molecular Mass | 330.0886 |
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| SMILES | O=C(O)CCCCC1SCC2C(=O)NC(CC(=O)O)C(=O)N12 |
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| InChI Key | WTBWLJVOVNWQLX-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 acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acid2,5-dioxopiperazinealiphatic heteropolycyclic compoundorganic oxidedioxopiperazinepiperazinetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycledialkylthioethern-alkylpiperazinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioether1,4-diazinanedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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