| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:30 UTC |
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| Update Date | 2025-03-25 00:53:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202381 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N4OS |
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| Molecular Mass | 200.0732 |
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| SMILES | CSCCNc1[nH]cnc1C(N)=O |
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| InChI Key | AUKOIAPGVYZPJY-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 | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary alkylarylaminessulfenyl compoundsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganosulfur compound2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolevinylogous amidesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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