| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:15 UTC |
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| Update Date | 2025-03-25 00:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224978 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N6O5S |
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| Molecular Mass | 370.1059 |
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| SMILES | Nc1nc2c(nc(SCC(=O)O)n2CCCCC(N)C(=O)O)c(=O)[nH]1 |
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| InChI Key | QOMIBKVLQKSEQZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazoleslactamsmedium-chain fatty acidsmonoalkylaminesn-substituted imidazolesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidonessulfenyl compoundsvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidpyrimidonealpha-amino acid or derivativesalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidazolen-substituted imidazolevinylogous amidesulfenyl compoundazacycleheteroaromatic compoundorganic oxygen compoundthioetherdicarboxylic acid or derivativeshypoxanthinehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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