| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:37 UTC |
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| Update Date | 2025-03-21 18:31:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085222 |
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| Frequency | 33.6 |
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| Structure | |
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| Chemical Formula | C8H12N2O3S |
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| Molecular Mass | 216.0569 |
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| SMILES | O=C(O)CN=C(O)CCCCN=C=S |
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| InChI Key | VUDBROJXKMLGRB-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 acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundisothiocyanatecarboximidic acidcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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