| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:44 UTC |
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| Update Date | 2025-03-21 18:36:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112116 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C11H16N2O4S |
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| Molecular Mass | 272.0831 |
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| SMILES | O=C(O)CCCCC1SCC2NC(=O)C(=O)NC21 |
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| InChI Key | AAQHKTOEORGSTM-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdioxopiperazinesheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiolanes |
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| Substituents | thiolanefatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidaliphatic heteropolycyclic compoundorganic oxidedioxopiperazinepiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioether1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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