| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:53 UTC |
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| Update Date | 2025-03-25 00:52:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194092 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O2S |
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| Molecular Mass | 277.0885 |
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| SMILES | CNC(=S)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | UNWPRQCRKNTQQW-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidazacycleindoleheteroaromatic compoundindole or derivativesorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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