| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:15 UTC |
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| Update Date | 2025-03-25 00:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227171 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H20NO4+ |
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| Molecular Mass | 218.1387 |
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| SMILES | CC(CCC(=O)O)C(C(=O)O)[N+](C)(C)C |
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| InChI Key | KPINBIBCIISCQF-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 | aminesamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmethyl-branched fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganic cationorganic saltmethyl-branched fatty acidtetraalkylammonium saltquaternary ammonium saltamino fatty acidbranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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