| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:03 UTC |
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| Update Date | 2025-03-21 18:30:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083880 |
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| Frequency | 34.3 |
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| Structure | |
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| Chemical Formula | C10H11N4O2S+ |
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| Molecular Mass | 251.0597 |
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| SMILES | Cc1ncc(C[n+]2csc(C(=O)O)c2)c(N)n1 |
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| InChI Key | CALBJMVUUJIYJM-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 | azoles |
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| Subclass | thiazoles |
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| Direct Parent | thiazolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativesvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativethiazolecarboxylic acid or derivativespyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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