| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:41 UTC |
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| Update Date | 2025-03-25 00:59:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234894 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N5O2S2+ |
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| Molecular Mass | 340.0896 |
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| SMILES | Cc1ncc(C[n+]2csc(CSCC(N)C(=O)O)c2)c(N)n1 |
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| InChI Key | ZISCKPYCIQRDCQ-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 | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativessulfenyl compoundsthiazoles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationimidolactamorganoheterocyclic compoundazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
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