| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:19 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151867 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H38N2O5 |
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| Molecular Mass | 398.2781 |
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| SMILES | NC(CCCCNC(=O)CCCCCCCCCCC1CCC(=O)O1)C(=O)O |
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| InChI Key | SMBZWDUFTRYQDR-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 fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amidefatty acidmedium-chain hydroxy acidlactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundtetrahydrofurancarboxamide groupamino fatty acidn-acyl-aminegamma butyrolactoneoxacyclesecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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