| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:58 UTC |
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| Update Date | 2025-03-25 00:51:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187566 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23N3O4 |
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| Molecular Mass | 285.1689 |
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| SMILES | CC(C)=CC(=NCCCCC(N)C(=O)O)NCC(=O)O |
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| InChI Key | BGMUTWGXZCDIIK-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 | amidinesamino fatty acidsbranched fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundamidinecarboximidamideamino fatty acidbranched fatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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