| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:54 UTC |
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| Update Date | 2025-03-25 00:46:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155615 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N2O5 |
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| Molecular Mass | 202.059 |
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| SMILES | CC(=O)C(=C[N+](=O)[O-])NCCC(=O)O |
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| InChI Key | JEKDEJPDTVVWMH-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesamino acidsc-nitro compoundscarboxylic acidsdialkylaminesenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidallyl-type 1,3-dipolar organic compoundalpha,beta-unsaturated ketoneorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumenonealpha-branched alpha,beta-unsaturated-ketonesecondary aliphatic amineorganic 1,3-dipolar compoundsecondary aminebeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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