| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:32 UTC |
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| Update Date | 2025-03-25 00:59:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234518 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H25N4O2+ |
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| Molecular Mass | 269.1972 |
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| SMILES | C[N+](C)(C)Cc1cnn(CCCCC(N)C(=O)O)c1 |
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| InChI Key | BKZUTNVAQPATKM-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 | amino fatty acidsaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrazolestetraalkylammonium salts |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidaralkylaminepyrazoleorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganic saltorganoheterocyclic compoundazoletetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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