| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:18 UTC |
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| Update Date | 2025-03-25 00:49:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176918 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O |
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| Molecular Mass | 243.1372 |
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| SMILES | O=C1NCCCNC1Cc1c[nH]c2ccccc12 |
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| InChI Key | JVEPBKLUTNMXDK-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 | 1,4-diazepanesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesindoleslactamsorganic oxidesorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactam1,4-diazepaneindolediazepaneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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