| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:25 UTC |
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| Update Date | 2025-03-21 18:33:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096612 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C12H22N2O5 |
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| Molecular Mass | 274.1529 |
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| SMILES | NC(CCCCNCC1(O)C=CC(O)C1O)C(=O)O |
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| InChI Key | QBDAKINJKGYXOS-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 homomonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstertiary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidamino acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic aminesecondary amineamino fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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