| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:23 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181667 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O4S |
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| Molecular Mass | 256.0518 |
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| SMILES | O=C(O)C1=CC(=CC=NC(CS)C(=O)O)CN1 |
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| InChI Key | ZZFBHPXAZATQNW-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalkylthiolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundspyrroline 2-carboxylic acids |
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| Substituents | carbonyl groupcarboxylic acidamino acidimineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundsecondary aminepyrroline 2-carboxylic acidorganic oxygen compoundpyrrolinepyrroline carboxylic acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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