| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:55 UTC |
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| Update Date | 2025-03-25 00:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180598 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H37N2O4+ |
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| Molecular Mass | 345.2748 |
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| SMILES | C[N+](C)(C)CC(CN)OC(=O)CCCCCCCCCCC(=O)O |
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| InChI Key | YWBNYVQYQHKMRD-UHFFFAOYSA-O |
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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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminesamino fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltamino fatty acidfatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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