| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:35 UTC |
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| Update Date | 2025-03-25 00:51:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188971 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O3S |
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| Molecular Mass | 216.0569 |
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| SMILES | CC(O)C1N=CN2C(C(=O)O)CSC12 |
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| InChI Key | OZPSLCHVCAPVHW-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 compoundscarboximidamidescarboxylic acidsdialkylthioethersformamidineshydrocarbon derivativesimidazolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidamidinepropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundalcoholazacycledialkylthioetherorganic 1,3-dipolar compoundcarboximidamideformamidinemonocarboxylic acid or derivativesorganic oxygen compound2-imidazolinethioetherimidazolinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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