| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:00 UTC |
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| Update Date | 2025-03-25 00:52:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192100 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H66NO3+ |
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| Molecular Mass | 536.5037 |
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| SMILES | CCCCCCC=CCCCCCCCC(O)C(C[N+](C)(C)C)OC(=O)C=CCCCCCCCCCC |
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| InChI Key | NKRGOGCUYVVVHQ-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 acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-aminoalcoholsaminescarbonyl compoundsenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltenoate esteralcohol1,3-aminoalcoholtetraalkylammonium saltquaternary ammonium saltfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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