| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:57 UTC |
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| Update Date | 2025-03-21 18:30:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081314 |
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| Frequency | 35.6 |
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| Structure | |
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| Chemical Formula | C15H17N3O3S |
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| Molecular Mass | 319.0991 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)N1CSCC1C(=O)O |
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| InChI Key | OSUJHAQFIBGNKS-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid amideazacycledialkylthioetherheteroaromatic compoundindole or derivativescarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundthiazolidine |
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