| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:38 UTC |
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| Update Date | 2025-03-21 18:33:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094717 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C13H18N5OS+ |
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| Molecular Mass | 292.1227 |
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| SMILES | Cc1ncc(C[n+]2csc(CCC(N)=O)c2C)c(N)n1 |
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| InChI Key | ZZULBBHCXWNDEA-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 thiazolesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesfatty amidecarboxylic acid derivativeorganic oxidethiamineorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamazoleazacycleheteroaromatic compoundcarboxamide group4,5-disubstituted 1,3-thiazoleorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
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