| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:36 UTC |
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| Update Date | 2025-03-25 00:58:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230081 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O5 |
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| Molecular Mass | 272.1372 |
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| SMILES | CCCCC=CC(=NC(O)C(=O)O)C(N)CC(=O)O |
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| InChI Key | DQXMUDUNEFYGBJ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acidsalpha hydroxy acids and derivativesamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | fatty acylaliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidiminealpha-hydroxy acidalpha-amino acid or derivativesmedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalkanolamineorganic 1,3-dipolar compoundhydroxy acidamino fatty acidbeta amino acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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