| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:21 UTC |
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| Update Date | 2025-03-25 00:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238621 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O7S |
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| Molecular Mass | 371.0787 |
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| SMILES | O=C(O)CNC(=O)C(CS)N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | KSMVZQBUYSKNNQ-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 | acyl glycines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalkylthiolsalpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidestetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidiminetricarboxylic acid or derivativesorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary aminecarboxamide groupn-acylglycinesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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