| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:18 UTC |
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| Update Date | 2025-03-25 00:48:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169970 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H39NO6 |
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| Molecular Mass | 401.2777 |
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| SMILES | CCCCCCCCCCCCCC=CC(O)C(O)C(NCC(=O)O)C(=O)O |
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| InChI Key | HOAJJMSABGPEBI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | long-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsamino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acid1,2-diolalcoholsecondary aliphatic aminehydroxy acidsecondary amineamino fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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