| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:34 UTC |
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| Update Date | 2025-03-21 18:35:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106859 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C8H13NO2S2 |
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| Molecular Mass | 219.0388 |
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| SMILES | O=C(O)CCC1SCC2SCNC12 |
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| InChI Key | GYDXXOWALGUMQY-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthia fatty acidsthiazolidinesthiohemiaminal derivativesthiolanes |
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| Substituents | thiolanefatty acylcarbonyl groupcarboxylic acidamino acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundhemithioaminalorganopnictogen compounddelta amino acid or derivativesorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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