| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:16 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149393 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O2S |
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| Molecular Mass | 216.0932 |
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| SMILES | CC(C)C(C)NC1=NC(C(=O)O)CS1 |
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| InChI Key | SOMUSNGBXDQORZ-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 compoundscarboximidamidescarboxylic acidshydrocarbon derivativesisothioureasmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | carbonyl groupcarboxylic acidmeta-thiazolineazacycleorganic 1,3-dipolar compoundcarboximidamidepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundisothiourea |
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