| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:58 UTC |
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| Update Date | 2025-03-21 18:37:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115127 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C20H29N3O8 |
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| Molecular Mass | 439.1955 |
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| SMILES | NC(CCCc1c(CCC(N)C(=O)O)cc(CCC(N)C(=O)O)cc1C(=O)O)C(=O)O |
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| InChI Key | YSIBGKGMARUXAM-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylbutylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativestetracarboxylic acid or derivativesalpha-amino acid or derivativesaromatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amine1-carboxy-2-haloaromatic compoundorganic nitrogen compoundbenzoic acidorganooxygen compound |
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