DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:43 UTC
Update Date	2025-03-25 00:49:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177895
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₈N₆O₇
Molecular Mass	500.2019
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O)c2cc1C
InChI Key	ILPYRJCUXGIKAF-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 acids amino fatty acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids diazanaphthalenes dicarboxylic acids and derivatives flavins glutamine and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives lactams medium-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds pyrazines pyrimidones quinoxalines secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid glutamine or derivatives heterocyclic fatty acid fatty amide fatty acid pyrimidone alpha-amino acid or derivatives pteridine isoalloxazine flavin pyrimidine organic oxide diazanaphthalene aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives quinoxaline carbonic acid derivative azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group amino fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound pyrazine dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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