| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:42 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184629 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O8S |
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| Molecular Mass | 310.0471 |
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| SMILES | NC(CSC(NC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | NFZBVLMDBRQFLS-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 acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundstetracarboxylic acids and derivativesthiohemiaminal derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioethertetracarboxylic acid or derivativessecondary amineorganic oxygen compoundthioethercysteine or derivativesaspartic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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