| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:50 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162036 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO4S |
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| Molecular Mass | 179.0252 |
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| SMILES | O=C(O)C1CSC(O)C(O)N1 |
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| InChI Key | ZNNKYGTZPYLZEN-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthiomorpholine carboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidhemiaminalorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiomorpholine-3-carboxylic acidorganoheterocyclic compoundalkanolamine1,4-thiazinanesecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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