| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:22 UTC |
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| Update Date | 2025-03-21 18:02:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039385 |
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| Frequency | 88.4 |
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| Structure | |
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| Chemical Formula | C9H19N2O4+ |
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| Molecular Mass | 219.1339 |
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| SMILES | C[N+](C)(C)CCOC(=O)CC(N)C(=O)O |
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| InChI Key | JHLQICSOIAOKED-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cholinesalpha amino acidsaminescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltfatty acid esterorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesacyl cholinedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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