Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:26 UTC |
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Update Date | 2025-03-21 18:35:08 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104076 |
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Frequency | 26.1 |
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Structure | |
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Chemical Formula | C18H23N3O6 |
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Molecular Mass | 377.1587 |
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SMILES | CN1C(=O)CCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
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InChI Key | WUVVMLQRHDWINJ-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 heteromonocyclic compounds |
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Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdelta amino acids and derivativesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativeslactamsn-acyl-alpha amino acidsn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenylalkylaminespyrrolidine-2-onessecondary alkylarylaminessecondary carboxylic acid amidestertiary carboxylic acid amides |
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Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidbenzoylbenzamideorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativespyrrolidinepyrrolidoneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidn-alkylpyrrolidinehippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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