| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:18 UTC |
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| Update Date | 2025-03-25 00:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163128 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO8S |
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| Molecular Mass | 267.0049 |
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| SMILES | O=C(O)C1=C(CO)C(S(=O)(=O)O)C(C(=O)O)N1 |
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| InChI Key | VHJUCOKYDYUDBS-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidspyrroline 2-carboxylic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidorganosulfonic acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativessecondary aminepyrroline 2-carboxylic acidsulfonylorganic oxygen compoundpyrrolinepyrroline carboxylic acidorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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