DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:12 UTC
Update Date	2025-03-25 00:56:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217974
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁N₅O₃
Molecular Mass	307.1644
SMILES	N=C(N)NCCCC(=O)Nc1ccc(CC(N)C(=O)O)cc1
InChI Key	BPKYAHKWLZWISW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives anilides carbonyl compounds carboximidamides carboxylic acids fatty amides gamma amino acids and derivatives guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid gamma amino acid or derivatives guanidine imine fatty amide n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives carboximidamide carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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