| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:14 UTC |
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| Update Date | 2025-03-25 01:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249913 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N4OS2+ |
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| Molecular Mass | 309.0838 |
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| SMILES | CSC(=O)Cc1sc[n+](Cc2cnc(C)nc2N)c1C |
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| InChI Key | ZDLPHEZLAPKKLS-UHFFFAOYSA-N |
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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 thiazolesamino acids and derivativesazacyclic compoundscarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganopnictogen compoundsprimary aminessulfenyl compoundsthioestersthiolactones |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxidethiamineorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamthiolactoneazolethiocarboxylic acid or derivativessulfenyl compoundazacyclethiocarboxylic acid esterheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
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