| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:27 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252714 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N5O5S |
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| Molecular Mass | 355.095 |
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| SMILES | NC(CSCC1OC(n2cnc3nccnc32)C(O)C1O)C(=O)O |
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| InChI Key | MVMLNNBBMLSJET-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 | 1,2-diolsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidazopyrazinesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrazinessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidimidazopyrazinemonosaccharideorganosulfur compoundsaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrazinecysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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