| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:37 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H43N3O4 |
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| Molecular Mass | 401.3254 |
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| SMILES | CCCCCCCCCC=CC(NCCCCC(N)C(=O)O)C(O)C(N)CO |
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| InChI Key | NAQXNTDHGRGRFE-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 | amino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary alcoholssecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidprimary alcoholalcoholsecondary aliphatic aminesecondary amineamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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