| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:42 UTC |
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| Update Date | 2025-03-21 18:41:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135649 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C7H12N2O4S |
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| Molecular Mass | 220.0518 |
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| SMILES | NC(CO)C(=O)N1CSCC1C(=O)O |
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| InChI Key | DZKXUPKIGROGKL-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholstertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-amino acid or derivativesorganic oxidetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholalpha-amino acid amideazacycledialkylthioethercarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundthiazolidine |
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