| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:53 UTC |
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| Update Date | 2025-03-21 18:06:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061939 |
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| Frequency | 50.2 |
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| Structure | |
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| Chemical Formula | C12H17N4O4S2+ |
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| Molecular Mass | 345.0686 |
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| SMILES | Cc1ncc(C[n+]2csc(CCOS(=O)(=O)O)c2C)c(N)n1 |
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| InChI Key | DXANYXRZRNXGSC-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 thiazolesalkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteraromatic heteromonocyclic compoundorganic oxidealkyl sulfatethiamineorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamazoleorganic sulfuric acid or derivativesazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxygen compoundsulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esterthiazoleamineorganooxygen compound |
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