| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:33 UTC |
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| Update Date | 2025-03-21 18:04:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053990 |
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| Frequency | 91.7 |
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| Structure | |
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| Chemical Formula | C4H6N4O |
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| Molecular Mass | 126.0542 |
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| SMILES | NC(=O)c1cnc(N)[nH]1 |
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| InChI Key | PWWHXPQSTNMAJT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundazacycleamino acid or derivativesheteroaromatic compound2-heteroaryl carboxamideorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl groupprimary amineorganic nitrogen compoundamineorganoheterocyclic compoundorganooxygen compoundazole |
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