| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:45 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177959 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N4O3S+ |
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| Molecular Mass | 337.1329 |
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| SMILES | Cc1ncc(C[n+]2csc(CC(O)CCC(=O)O)c2C)c(N)n1 |
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| InChI Key | CBGRKXWDOJQBDV-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundsprimary aminessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidethiamineorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationimidolactamazolealcoholazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
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