| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:12 UTC |
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| Update Date | 2025-03-25 00:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N2O7 |
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| Molecular Mass | 234.0488 |
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| SMILES | O=C(O)CCC(NC(O)=C[N+](=O)[O-])C(=O)O |
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| InChI Key | CIVJCIORRUXWOA-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acidsamino acidsc-nitro compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsnitro fatty acidsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganic oxoazaniumalkanolaminesecondary aliphatic amineorganic 1,3-dipolar compoundglutamic acid or derivativessecondary amineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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