| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:12 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188078 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N4O2S |
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| Molecular Mass | 268.0994 |
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| SMILES | CC(=O)NCCSCC(=O)c1cnc(C)nc1N |
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| InChI Key | YDYRZTSVXZFFRE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary carboxylic acid amidessulfenyl compoundsvinylogous amides |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundacetamidevinylogous amidesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidethioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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