| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:38 UTC |
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| Update Date | 2025-03-25 00:55:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212081 |
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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 | CCCCCCCCCCCCCC(=O)OCC[N+](=O)CC(=O)O |
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| InChI Key | YRWCGIVHYWQSOD-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminoxidescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acid esterorganic oxideorganic oxygen compoundaminoxidecarboxylic acid esterorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic oxoazaniumorganooxygen compound |
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