| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:38 UTC |
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| Update Date | 2025-03-21 18:30:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080541 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C10H15NO4 |
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| Molecular Mass | 213.1001 |
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| SMILES | C=CCCCCC(N=CC(=O)O)C(=O)O |
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| InChI Key | PCDFZWSNPJCEJR-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aldiminesamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidimineorganic 1,3-dipolar compoundamino fatty acidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compound |
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