| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:24 UTC |
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| Update Date | 2025-03-25 00:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236505 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N6O2S2 |
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| Molecular Mass | 328.0776 |
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| SMILES | CSCCNc1nc(SCC(N)C(=O)O)nc2nc[nH]c12 |
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| InChI Key | LTYZMWKSEHIWJS-UHFFFAOYSA-N |
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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 heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylaminessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidimidazopyrimidinealkylarylthioetherorganosulfur compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic aminepurineorganic nitrogen compoundorganooxygen compoundamine |
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