| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:38 UTC |
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| Update Date | 2025-03-25 00:53:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198070 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N6O4S |
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| Molecular Mass | 340.0954 |
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| SMILES | CSCCNc1nc(NC(CC(=O)O)C(=O)O)nc2nc[nH]c12 |
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| InChI Key | VGMXLOFACDCWQU-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylaminessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidimidazopyrimidineorganosulfur compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundthioetheraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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