| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:18 UTC |
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| Update Date | 2025-03-25 00:52:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195003 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H34NO5+ |
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| Molecular Mass | 344.2432 |
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| SMILES | CCCCCC[N+](=O)OC(=O)CCCCCCCCCCC(=O)O |
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| InChI Key | KTYXTQWKDUEZEL-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 | nitro fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid saltscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsorganic cationsorganic nitro compoundsorganic oxidesorganic oxoazanium compoundsorganic saltsorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativeorganic nitro compoundnitro fatty acidorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganic cationorganic oxoazaniumorganic saltcarboxylic acid saltorganooxygen compound |
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