| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:21 UTC |
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| Update Date | 2025-03-25 00:59:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28N3O4+ |
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| Molecular Mass | 326.2074 |
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| SMILES | C[N+](C)(C)C(Cc1cccn1CCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | VPIAQDZEBFMNAF-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssubstituted pyrrolestetraalkylammonium salts |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidsubstituted pyrroleorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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