| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:28 UTC |
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| Update Date | 2025-03-25 00:55:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N3O3 |
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| Molecular Mass | 291.1583 |
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| SMILES | C=CC1=C(C)C(=CC=NC(CCCCN)C(=O)O)NC1=O |
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| InChI Key | MCPAOUXKTCCRPH-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundcarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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