Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:54:19 UTC |
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Update Date | 2025-03-25 00:51:38 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02188358 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C16H27N2O2+ |
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Molecular Mass | 279.2067 |
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SMILES | CC(O)C(Cc1ccccc1)NC(=O)C(C)[N+](C)(C)C |
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InChI Key | VBJFGPPIFVEMMS-UHFFFAOYSA-O |
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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 acid amides |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | alanine and derivativesalpha amino acidsaminesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestetraalkylammonium salts |
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Substituents | monocyclic benzene moietycarbonyl grouporganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltamphetamine or derivativesalcoholalpha-amino acid amidetetraalkylammonium saltquaternary ammonium saltcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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