| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:54 UTC |
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| Update Date | 2025-03-21 18:04:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047929 |
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| Frequency | 69.3 |
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| Structure | |
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| Chemical Formula | C13H16N2O3S |
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| Molecular Mass | 280.0882 |
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| SMILES | NC(Cc1ccccc1)C(=O)N1CSCC1C(=O)O |
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| InChI Key | MGPQDMAXKKHNRS-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid amideazacycledialkylthioethercarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundthiazolidine |
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