| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:36 UTC |
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| Update Date | 2025-03-21 18:38:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119084 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C7H10N2O3S |
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| Molecular Mass | 202.0412 |
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| SMILES | CC(=O)NC1CSCC(C(=O)O)=N1 |
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| InChI Key | CBLVCZQWEBURBJ-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 | carboxylic acid derivatives |
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| Direct Parent | acetamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleiminedialkylthioetherorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
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