| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:32 UTC |
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| Update Date | 2025-03-21 18:04:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053984 |
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| Frequency | 59.8 |
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| Structure | |
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| Chemical Formula | C16H28N5O6+ |
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| Molecular Mass | 386.2034 |
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| SMILES | NC(CCCC[n+]1cc(CCC(N)C(=O)O)c(CC(N)C(=O)O)[nH]1)C(=O)O |
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| InChI Key | YOINOXLWIVMTIK-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazolestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativespyrazoleorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compoundazole |
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