| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:14 UTC |
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| Update Date | 2025-03-21 18:41:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132364 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C8H18NO3+ |
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| Molecular Mass | 176.1281 |
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| SMILES | CCC(O)C(C(=O)O)[N+](C)(C)C |
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| InChI Key | SPFVNCPBHDQYKW-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 | aminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscholineshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidbeta-hydroxy acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcoholmethyl-branched fatty acidtetraalkylammonium saltquaternary ammonium salthydroxy acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundcholinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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