DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:09 UTC
Update Date	2025-03-25 00:51:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02190243
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₄N₄O₄
Molecular Mass	348.1798
SMILES	CC(=O)N1CCN(C(=O)CNC(=O)C(N)Cc2ccc(O)cc2)CC1
InChI Key	QXLFCSWFASKCOU-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetamides alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives piperazines secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide piperazine tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound 1,4-diazinane phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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