| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:37 UTC |
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| Update Date | 2025-03-25 01:02:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253048 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3OS |
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| Molecular Mass | 223.0779 |
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| SMILES | O=C(NCc1cccnc1)C1CSCN1 |
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| InChI Key | OVPVNMQWWZPQRM-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyridines and derivativessecondary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioetherheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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