| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:34:57 UTC |
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| Update Date | 2025-03-24 22:08:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02002469 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H8N2O2 |
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| Molecular Mass | 128.0586 |
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| SMILES | CC1=[N+]([O-])CCC(=O)N1 |
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| InChI Key | NMAQVKDKFYNDIH-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | hydropyrimidines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acids and derivativeshydrocarbon derivativesnitronesorganic oxidesorganic oxoanionic compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | 1,4,5,6-tetrahydropyrimidinecarbonyl groupazacycleallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundcarboximidamidecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundhydropyrimidineorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitritenitrone |
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