| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:01 UTC |
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| Update Date | 2025-03-21 18:33:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095643 |
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| Frequency | 29.0 |
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| Structure | |
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| Chemical Formula | C13H24N2O5 |
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| Molecular Mass | 288.1685 |
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| SMILES | CC(C)(CO)C(O)C(=O)NCCCN1CCC1C(=O)O |
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| InChI Key | JRXPRAQETNCHCC-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 acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidfatty amidemonosaccharideazetidinecarboxylic acidsaccharideorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminecarboxamide groupn-acyl-amineazetidinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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