| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:33 UTC |
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| Update Date | 2025-03-21 18:31:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085029 |
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| Frequency | 33.7 |
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| Structure | |
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| Chemical Formula | C20H35N5O7+2 |
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| Molecular Mass | 457.2526 |
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| SMILES | NC(CCCC[n+]1cc(CCC(N)C(=O)O)c[n+](CC(O)CCC(N)C(=O)O)c1)C(=O)O |
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| InChI Key | UDTVHMFKEOCMJU-UHFFFAOYSA-P |
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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 compoundspyrimidines and pyrimidine derivativessecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativespyrimidineorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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