| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:20 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151909 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O5 |
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| Molecular Mass | 284.1372 |
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| SMILES | C=CCCCCC(O)C(O)=NCC(=C=O)NCC(=O)O |
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| InChI Key | ASSJPBQAYVRPIX-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 | amino acidscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsynolates |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidamino acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic amineorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundynolatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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