| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:43 UTC |
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| Update Date | 2025-03-25 00:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225974 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N5OS+ |
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| Molecular Mass | 334.1696 |
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| SMILES | CC(=O)NCCCCc1sc[n+](Cc2cnc(C)nc2N)c1C |
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| InChI Key | DOHALLMOKHOJKE-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | thiamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesacetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganic oxidethiamineorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamacetamideazoleazacycleheteroaromatic compoundcarboxamide group4,5-disubstituted 1,3-thiazolesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
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