| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:23 UTC |
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| Update Date | 2025-03-21 18:37:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116111 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C8H13N3O5 |
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| Molecular Mass | 231.0855 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCCC(=O)C(=O)O |
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| InChI Key | NFEVMCIWRHSBJY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | nitro fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsc-nitro compoundscarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain keto acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidallyl-type 1,3-dipolar organic compoundshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketonenitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganic oxoazaniumsecondary aliphatic amineorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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