| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:48 UTC |
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| Update Date | 2025-03-25 00:49:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173440 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O4 |
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| Molecular Mass | 258.158 |
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| SMILES | CCC(O)CCC=CC(O)=NC(CCN)C(=O)O |
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| InChI Key | LSKFIZVWQSXEFU-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 | carbonyl compoundscarboximidic acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic 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 oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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