| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:22 UTC |
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| Update Date | 2025-03-25 00:48:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167874 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O3S |
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| Molecular Mass | 256.0882 |
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| SMILES | CC(C)CC1N=CC2SCC(C(=O)O)N2C1=O |
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| InChI Key | MPICGXKIQYZNCB-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 acidsdialkylthioethershydrocarbon derivativesimineslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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