| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:43:26 UTC |
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| Update Date | 2025-03-24 22:20:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01162531 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C5H8N2OS |
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| Molecular Mass | 144.0357 |
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| SMILES | O=C1NCC2SCNC12 |
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| InChI Key | JQKQQISPFFQSSP-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 acids and derivativesdialkylaminesdialkylthioethershydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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