| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:32 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186583 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N8O2 |
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| Molecular Mass | 306.1553 |
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| SMILES | NCC(=O)N1CCN(C2=Nc3c([nH]c(N)nc3=O)NC2)CC1 |
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| InChI Key | MBOMAXRPYCVKGW-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 | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamidinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesorganic oxidesorganopnictogen compoundspiperazinespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminestertiary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupamino acid or derivativespyrimidoneamidinealpha-amino acid or derivativescarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidepiperazinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamvinylogous amidepterinalpha-amino acid amideazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compound1,4-diazinanehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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