| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:38:59 UTC |
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| Update Date | 2025-03-21 19:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00294317 |
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| Frequency | 6.8 |
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| Structure | |
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| Chemical Formula | C5H8N2OS |
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| Molecular Mass | 144.0357 |
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| SMILES | NC(=O)CCCN=C=S |
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| InChI Key | LBJMPKMAYIWQCQ-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesisothiocyanatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundisothiocyanatecarbonyl groupgamma amino acid or derivativesfatty amideorganic 1,3-dipolar compoundorganosulfur compoundcarboxamide grouppropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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