| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:08 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181108 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O6S |
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| Molecular Mass | 276.0416 |
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| SMILES | O=C(O)CC(N=CC=C1CCS(=O)(=O)N1)C(=O)O |
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| InChI Key | RDFFBJJAIQRTSA-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma sultamsheterocyclic fatty acidshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganopnictogen compoundsorganosulfonamidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylorganosulfonic acid or derivativescarbonyl groupcarboxylic acidheterocyclic fatty acidiminegamma-sultampropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amidealdimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundorganic oxygen compoundorganic sulfonic acid or derivativesaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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