| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:27 UTC |
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| Update Date | 2025-03-21 18:02:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037247 |
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| Frequency | 129.7 |
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| Structure | |
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| Chemical Formula | C16H29N3O6 |
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| Molecular Mass | 359.2056 |
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| SMILES | CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=NC(CC(=O)O)C(=O)O |
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| InChI Key | PDQDCFBVYXEFSD-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbranched fatty acidscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganic 1,3-dipolar compoundbranched fatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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