| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:37 UTC |
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| Update Date | 2025-03-21 18:01:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030422 |
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| Frequency | 122.2 |
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| Structure | |
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| Chemical Formula | C8H11NO6 |
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| Molecular Mass | 217.0586 |
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| SMILES | O=C=C(O)C(CCC(=O)O)NCC(=O)O |
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| InChI Key | XKGKIBRBOWBODR-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidgamma amino acid or derivativesalpha-amino acid or derivativesmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidsecondary aliphatic aminesecondary amineamino fatty acidorganic oxygen compoundynolatedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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