| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:00 UTC |
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| Update Date | 2025-03-21 18:32:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090781 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C7H9NO5S |
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| Molecular Mass | 219.0201 |
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| SMILES | O=C(O)C1CSCC(C(O)C(=O)O)=N1 |
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| InChI Key | MWRJKFDFNZHUOI-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 | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsthia fatty acids |
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| Substituents | fatty acylketiminecarbonyl groupcarboxylic acidiminealpha-hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholazacycledialkylthioetherorganic 1,3-dipolar compoundhydroxy acidthia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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