| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:09 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187994 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14ClN3O4S |
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| Molecular Mass | 319.0394 |
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| SMILES | CC(=O)NCCC(=O)Nc1ccc(Cl)c(S(N)(=O)=O)c1 |
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| InChI Key | QNAVNELZOGZHQV-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesaminosulfonyl compoundsanilidesaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouporganochloriden-arylamideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundcarboxamide groupbeta amino acid or derivativesaryl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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