| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:55 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C3H4N2OS |
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| Molecular Mass | 116.0044 |
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| SMILES | NC(=O)CN=C=S |
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| InChI Key | LXDZRHJIMQYSSD-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 compoundscarboxylic acids and derivativeshydrocarbon derivativesisothiocyanatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundisothiocyanatecarbonyl grouporganic 1,3-dipolar compoundorganosulfur compoundcarboxamide grouppropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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