| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:46 UTC |
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| Update Date | 2025-03-21 18:29:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078439 |
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| Frequency | 37.3 |
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| Structure | |
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| Chemical Formula | C15H22N5O2S+ |
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| Molecular Mass | 336.1489 |
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| SMILES | Cc1ncc(C[n+]2csc(CCCC(N)C(=O)O)c2C)c(N)n1 |
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| InChI Key | WJNCNHBLGRBHQE-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 thiazolesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidolactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidethiamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationimidolactamazoleazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
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