| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:40:03 UTC |
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| Update Date | 2025-03-24 22:18:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01154010 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C4H6N2O3 |
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| Molecular Mass | 130.0378 |
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| SMILES | O=C1NCCC1[N+](=O)[O-] |
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| InChI Key | APSSDHKAGJAXLS-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsc-nitro compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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