| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:00 UTC |
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| Update Date | 2025-03-21 18:30:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083768 |
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| Frequency | 34.3 |
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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 | COC(=O)C1CSCC(C(=O)O)=N1 |
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| InChI Key | SQCLVFLVDGNUTG-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 acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesketiminesmethyl estersorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundorganic oxidemethyl esteraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid esterazacycledialkylthioetherorganic 1,3-dipolar compoundorganic oxygen compoundthioethercarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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