| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:11 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206225 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23N3O9 |
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| Molecular Mass | 425.1434 |
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| SMILES | NC(CCN(CC(=O)O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)C(=O)O |
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| InChI Key | DENCVAJGCFYIKJ-UHFFFAOYSA-N |
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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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsaminobenzamidesaniline and substituted anilinesbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesfatty acylshippuric acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestetracarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylbenzamideorganic oxidetertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylamineaminobenzoic acid or derivativestertiary aminen-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesaniline or substituted anilinesbenzoic acid or derivativestetracarboxylic acid or derivativesglutamic acid or derivativesamino fatty acidcarboxamide groupaminobenzamidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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