| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:27 UTC |
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| Update Date | 2025-03-25 00:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O3S |
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| Molecular Mass | 230.0725 |
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| SMILES | NC(CCC1SCC2C(=O)NC12)C(=O)O |
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| InChI Key | XPXSZWIXSAKFJT-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 compoundsazetidinesbeta lactamscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiolanes |
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| Substituents | thiolanefatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupazetidinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundbeta-lactamorganooxygen compound |
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