| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:46 UTC |
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| Update Date | 2025-03-25 00:45:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150583 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H26N2O3 |
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| Molecular Mass | 318.1943 |
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| SMILES | CCC1=C(C)C(CC2=NC(CCCCC(=O)O)C=C2C)NC1=O |
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| InChI Key | PQCAVKNTVKGVFJ-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativesketimineslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundcarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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