| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:23 UTC |
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| Update Date | 2025-03-21 18:31:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087000 |
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| Frequency | 32.7 |
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| Structure | |
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| Chemical Formula | C4H8N2O5 |
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| Molecular Mass | 164.0433 |
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| SMILES | NC(CCO[N+](=O)[O-])C(=O)O |
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| InChI Key | RBJTWFQJJGGFCR-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 acyclic compounds |
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| Alternative Parents | alkyl nitratescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnitrate estersnitro fatty acidsorganic nitro compoundsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidallyl-type 1,3-dipolar organic compoundfatty acidorganic nitro compoundnitro fatty acidorganic oxidealkyl nitrateorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic nitric acid or derivativesorganic nitratenitrate esterorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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