| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:20 UTC |
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| Update Date | 2025-03-21 18:31:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084529 |
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| Frequency | 33.9 |
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| Structure | |
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| Chemical Formula | C16H25N4S+ |
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| Molecular Mass | 305.1794 |
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| SMILES | CCCCCCc1sc[n+](Cc2cnc(C)nc2N)c1C |
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| InChI Key | XDPLIWVOGUAXJK-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 thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganopnictogen compoundsprimary amines |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolethiamineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactamthiazoleamineazole |
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