DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:16 UTC
Update Date	2025-03-25 01:01:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250002
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₃O₃+
Molecular Mass	266.1499
SMILES	C[N+](C)(C)C(CC(=O)O)C(=O)Nc1ccccc1N
InChI Key	BPXFEMHCFSFHDH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids anilides carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic cations organic oxides organic salts organopnictogen compounds primary amines secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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