DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:06 UTC
Update Date	2025-03-21 18:37:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00115430
Frequency	22.8
Structure
Chemical Formula	C₁₈H₂₄N₄O₈
Molecular Mass	424.1594
SMILES	NC(=O)CCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(=O)O)C(=O)O
InChI Key	OYSYWMMZGJSQRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives aspartic acid and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides 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 fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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