| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:49 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H31NO5 |
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| Molecular Mass | 317.2202 |
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| SMILES | C[N+](C)([O-])CCOC(=O)CCCCCCCCCCC(=O)O |
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| InChI Key | QSJVMEHPLUQXGW-UHFFFAOYSA-N |
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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 | amino fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganic oxoanionic compoundsorganopnictogen compoundstrialkyl amine oxidestrisubstituted amine oxides and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidn-oxidetrialkyl amine oxidecarboxylic acid derivativeamino fatty acidmedium-chain hydroxy acidfatty acid esterorganic oxideorganic oxygen compoundtrisubstituted n-oxideaminoxidecarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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