| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:40 UTC |
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| Update Date | 2025-03-25 00:54:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O3S |
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| Molecular Mass | 310.11 |
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| SMILES | Nc1nc2c(c(=O)[nH]1)C1C(CSC1CCCCC(=O)O)N2 |
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| InChI Key | DEWKLSLZNWDUBL-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 | pyrrolopyrimidines |
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| Subclass | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidolactamslactamsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonespyrrolessecondary alkylarylaminesthiolanesvinylogous amides |
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| Substituents | thiolanefatty acylcarbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidpyrimidonecarboxylic acid derivativepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidimidolactamvinylogous amideazacycledialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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