DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:57 UTC
Update Date	2025-03-25 00:58:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233165
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₉N₃O₇
Molecular Mass	423.2006
SMILES	CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(CCC(N)=O)C(=O)O)C(=O)O
InChI Key	NDWLLYSAJNASQQ-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty amides glutamine and derivatives hydrocarbon derivatives isoleucine and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides secondary carboxylic acid amides tyrosine and derivatives
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives amphetamine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid secondary amine carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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