| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:18 UTC |
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| Update Date | 2025-03-25 00:53:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O5 |
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| Molecular Mass | 310.1277 |
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| SMILES | Cn1c(=O)c2c(ncn2CCCCC(O)C(=O)O)n(C)c1=O |
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| InChI Key | CQWXCEKABJJLMD-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 | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazoleslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary alcoholsureasvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidpyrimidonecarboxylic acid derivativemedium-chain hydroxy acidpurinonepyrimidineureasaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundhydroxy acidamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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