| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:53 UTC |
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| Update Date | 2025-03-21 18:32:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092916 |
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| Frequency | 30.1 |
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| Structure | |
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| Chemical Formula | C14H20N5O2S2+ |
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| Molecular Mass | 354.1053 |
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| SMILES | Cc1ncc(C[n+]2csc(CSCC(N)C(=O)O)c2C)c(N)n1 |
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| InChI Key | MPMSWYAONVQAIS-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationimidolactamorganoheterocyclic compoundazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compound4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
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