| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:50:49 UTC |
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| Update Date | 2025-03-21 22:58:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00606246 |
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| Frequency | 2.7 |
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| Structure | |
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| Chemical Formula | C5H6N2OS |
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| Molecular Mass | 142.0201 |
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| SMILES | O=C1NCCC1N=C=S |
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| InChI Key | FFLAYXLPTRZWTI-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesisothiocyanateslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidoneisothiocyanatecarbonyl grouplactamorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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