| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:43 UTC |
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| Update Date | 2025-03-21 18:06:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061550 |
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| Frequency | 50.6 |
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| Structure | |
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| Chemical Formula | C12H19NO6 |
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| Molecular Mass | 273.1212 |
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| SMILES | CC(O)CCCC=CC(O)=NC(CC(=O)O)C(=O)O |
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| InChI Key | IGZGPDMYJVVUAQ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidorganic nitrogen compoundorganooxygen compound |
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