| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:41 UTC |
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| Update Date | 2025-03-25 00:49:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173151 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N2O3 |
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| Molecular Mass | 292.1787 |
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| SMILES | CCC(C)C(N)C(=O)NC(C)C(=O)OCc1ccccc1 |
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| InChI Key | OFXZKCXRHWZGIV-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 | peptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acid amidesalpha amino acid estersalpha amino acidsbenzyloxycarbonylscarbonyl compoundscarboxylic acid estershydrocarbon derivativesisoleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | benzyloxycarbonylfatty acylmonocyclic benzene moietycarbonyl groupfatty amidealpha-amino acid or derivativesalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralanine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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