| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:11 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206212 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H18N2O4 |
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| Molecular Mass | 206.1267 |
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| SMILES | NC(CCNCCOCCO)C(=O)O |
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| InChI Key | KQKFENLPUCUQER-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 | alcohols and polyolsamino acidscarbonyl compoundscarboxylic acidsdialkyl ethersdialkylaminesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupethercarboxylic acidshort-chain hydroxy acidamino acidfatty aciddialkyl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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