DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:54 UTC
Update Date	2025-03-25 00:54:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205593
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₄O₆
Molecular Mass	338.1226
SMILES	Nc1c(O)cccc1C(=O)CC(N)C(=O)NCC(=O)NCC(=O)O
InChI Key	VJMMKOCSHBJHAB-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 1-hydroxy-4-unsubstituted benzenoids acyl glycines alkyl-phenylketones alpha amino acid amides alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds peptides secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives vinylogous amide polypeptide alpha-amino acid amide n-acyl-alpha-amino acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acyl-amine n-acylglycine phenylketone n-substituted-alpha-amino acid butyrophenone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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