| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:05 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158178 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O4S |
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| Molecular Mass | 258.0674 |
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| SMILES | O=C(O)CN=C(O)CCC1SCC2NC(=O)C21 |
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| InChI Key | QRUOUYNRJOMJIY-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 compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidesthiolanes |
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| Substituents | thiolanecarboximidic acidcarbonyl grouplactamcarboxylic acidpropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundcarboxamide groupazetidinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundbeta-lactamorganooxygen compound |
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