| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:12 UTC |
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| Update Date | 2025-03-21 18:33:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096080 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C15H18N2O4S |
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| Molecular Mass | 322.0987 |
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| SMILES | CS(=O)CCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | CTJCPJJTUYRTIL-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsfatty acylsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidessulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindoleorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundpyrrolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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