| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:00 UTC |
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| Update Date | 2025-03-25 00:45:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148770 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H24N2O4 |
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| Molecular Mass | 272.1736 |
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| SMILES | CC1CC=CC(O)(CNCCCCC(N)C(=O)O)O1 |
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| InChI Key | UVJRYEQMGMITFA-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesfatty acylshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidmedium-chain hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundsecondary aliphatic aminesecondary amineamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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