DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:30 UTC
Update Date	2025-03-25 00:57:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223344
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₀N₆O₅
Molecular Mass	424.1495
SMILES	NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2[nH]c(=O)[nH]c(=O)c12)C(=O)O
InChI Key	JXQDKJYWPADYTH-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 heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives indoles lactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds pyrimidones pyrroles pyrrolo[2,3-d]pyrimidines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid indole fatty amide pyrimidone alpha-amino acid or derivatives pyrimidine pyrrolopyrimidine organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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