| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:13:19 UTC |
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| Update Date | 2025-03-21 18:33:02 UTC |
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| HMDB ID | HMDB0247895 |
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| Metabolite Identification |
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| DeepMet ID | DMID00093983 |
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| Name | Acefylline |
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| Frequency | 29.6 |
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| Structure | |
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| Chemical Formula | C9H10N4O4 |
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| Molecular Mass | 238.0702 |
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| SMILES | Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O |
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| InChI Key | HCYFGRCYSCXKNQ-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 amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesureasvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepurinonepyrimidineureaorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazolevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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