| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:32 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152358 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16ClN3O4S |
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| Molecular Mass | 345.055 |
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| SMILES | NC(CCCCNC1=NS(=O)(=O)c2cc(Cl)ccc21)C(=O)O |
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| InChI Key | NDYBHZYIQBAWCJ-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 | amidinesaryl chloridesazacyclic compoundsbenzenoidsbenzothiazolescarbonyl compoundscarboxylic acidshalogenated fatty acidsheterocyclic fatty acidshydrocarbon derivativesimidolactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | fatty acylorganosulfonic acid or derivativescarbonyl groupcarboxylic acidheterocyclic fatty acidorganochloridefatty acidamidineorganohalogen compound1,2-benzothiazoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidimidolactamorganoheterocyclic compoundaryl chloridehalogenated fatty acidazacyclearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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