| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:18 UTC |
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| Update Date | 2025-03-21 18:03:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044093 |
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| Frequency | 76.8 |
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| Structure | |
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| Chemical Formula | C27H44NO4+ |
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| Molecular Mass | 446.3265 |
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| SMILES | C[N+](C)(C)CCOC(=O)CCCC=CCC=CCC=CCC=CCC=CCCCC(=O)O |
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| InChI Key | ICGUHOFQYAYPNK-UHFFFAOYSA-O |
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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 | acyl cholinesaminesamino fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltamino fatty acidfatty acid esterorganic oxygen compoundcarboxylic acid esteracyl cholinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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