| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:36:10 UTC |
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| Update Date | 2025-03-21 17:57:14 UTC |
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| HMDB ID | HMDB0000235 |
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| Metabolite Identification |
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| DeepMet ID | DMID00006514 |
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| Name | Thiamine |
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| Frequency | 792.0 |
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| Structure | |
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| Chemical Formula | C12H17N4OS+ |
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| Molecular Mass | 265.1118 |
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| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 |
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| InChI Key | JZRWCGZRTZMZEH-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 thiazolesalcohols and polyolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganopnictogen compoundsprimary amines |
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| Substituents | alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxygen compoundthiamineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationimidolactamthiazoleamineorganooxygen compoundazole |
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