| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:18 UTC |
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| Update Date | 2025-03-25 01:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250071 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H26NO5+ |
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| Molecular Mass | 276.1805 |
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| SMILES | C[N+](C)(C)CC(O)(CCCCC(=O)O)CCC(=O)O |
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| InChI Key | QWJOXIRGCWWALO-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 | 1,2-aminoalcoholsaminesamino fatty acidsbranched fatty acidscarbonyl compoundscarboxylic acidscholinesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstertiary alcoholstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium salt1,2-aminoalcoholquaternary ammonium saltamino fatty acidbranched fatty acidtertiary alcoholorganic oxygen compoundcholinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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