| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:19 UTC |
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| Update Date | 2025-03-25 01:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252406 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O2 |
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| Molecular Mass | 248.1525 |
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| SMILES | NCCCCC(C(=O)O)N1Cc2ccccc2C1 |
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| InChI Key | QEJZBSDBRKALQE-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesisoindolesisoindolinesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidaralkylamineorganic oxideisoindolinearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidtertiary amineorganoheterocyclic compoundazacycleisoindoletertiary aliphatic amineamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundisoindole or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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