| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:57:44 UTC |
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| Update Date | 2025-03-24 22:26:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01197064 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C5H7NO2S |
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| Molecular Mass | 145.0197 |
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| SMILES | COC(=O)C(C)N=C=S |
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| InChI Key | LFRBLTIOKKCLSD-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 acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidscarbonyl compoundshydrocarbon derivativesisothiocyanatesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundisothiocyanatecarbonyl groupalpha-amino acid esterorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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