| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:03 UTC |
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| Update Date | 2025-03-21 18:38:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120077 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C7H9NO4S |
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| Molecular Mass | 203.0252 |
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| SMILES | CC1=C(C(=O)O)NC(C(=O)O)CS1 |
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| InChI Key | COLVQHHITUCTRV-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 | 1,4-thiazinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsthioenol ethersvinylogous thioesters |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous thioestersecondary aliphatic aminepara-thiazineazacyclesecondary aminethioenoletherorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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