| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:33:05 UTC |
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| Update Date | 2025-03-21 22:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00563733 |
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| Frequency | 2.9 |
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| Structure | |
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| Chemical Formula | C3H6N2O3 |
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| Molecular Mass | 118.0378 |
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| SMILES | CC(C(N)=O)[N+](=O)[O-] |
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| InChI Key | KJJJZRCCFODWCZ-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsc-nitro compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundcarboxamide grouporganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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