| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:30 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252793 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N4O4S |
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| Molecular Mass | 352.1205 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(S(=O)(=O)O)CC1 |
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| InChI Key | QKVRNQOYMGPLQM-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 acid amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperazinespyrrolessulfuric acid monoamidestertiary carboxylic acid amides |
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| Substituents | carbonyl groupindoleorganic oxidepiperazinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundorganic sulfuric acid or derivativesalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxamide grouporganic oxygen compound1,4-diazinanepyrrolesulfuric acid monoamidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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