| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:34 UTC |
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| Update Date | 2025-03-21 18:34:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101922 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C18H25N3O6 |
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| Molecular Mass | 379.1743 |
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| SMILES | CCN(CC)CC(=O)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
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| InChI Key | SMFCYZDVXKSNSL-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 | acylaminobenzoic acid and derivativesalpha amino acid amidesalpha amino acidsamino acidsanilidesbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyln-arylamidebenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminen-acyl-alpha amino acid or derivativesacylaminobenzoic acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidhippuric acid or derivativestertiary aliphatic aminebenzoic acid or derivativesglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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