| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:13 UTC |
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| Update Date | 2025-03-25 00:48:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169780 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O6 |
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| Molecular Mass | 290.1478 |
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| SMILES | CCOC(=O)CC(NCCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | JRWKWKPREFBTRG-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 acidsamino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminefatty acid esterorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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