| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:17 UTC |
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| Update Date | 2025-03-21 17:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022646 |
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| Frequency | 174.8 |
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| Structure | |
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| Chemical Formula | C8H16NO5+ |
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| Molecular Mass | 206.1023 |
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| SMILES | C[N+](C)(C)CC(O)(CC(=O)O)C(=O)O |
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| InChI Key | XPTZBHGJHKGSAD-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 | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaminesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsshort-chain hydroxy acids and derivativestertiary alcoholstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium saltquaternary ammonium salthydroxy acidbranched fatty acidtertiary alcoholorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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