| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:24 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238719 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O5S |
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| Molecular Mass | 244.0154 |
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| SMILES | O=C(O)C1CSC2C(=N1)NC(=O)C2C(=O)O |
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| InChI Key | GBBLECJJYKQSBA-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 | 1,3-dicarbonyl compoundsazacyclic compoundscarboximidamidescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acidspyrrolidine-2-ones |
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| Substituents | 2-pyrrolidonecarbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundcarboximidamidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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