Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:01 UTC |
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Update Date | 2025-03-21 18:35:24 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105475 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C20H29N3O6 |
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Molecular Mass | 407.2056 |
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SMILES | CCC(C)C(NC(=O)CCC(N)C(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
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InChI Key | OAIXARWNIYCAGK-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 | oligopeptides |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesisoleucine and derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidssecondary carboxylic acid amides |
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Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglutamine or derivatives3-phenylpropanoic-acidfatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidaromatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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