DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:21 UTC
Update Date	2025-03-21 18:38:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118498
Frequency	27.7
Structure
Chemical Formula	C₂₀H₂₀N₆O₆
Molecular Mass	440.1444
SMILES	N=c1[nH]c2c(c(=O)[nH]1)C=CC(C(=O)NC(CCC(=O)O)C(=O)O)=CC=C1C=C(C=N2)CN1
InChI Key	SQRODEXTAZQWIQ-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imines lactams n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrimidones pyrrolines secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid imine pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide secondary aliphatic amine azacycle n-acyl-alpha-amino acid heteroaromatic compound organic 1,3-dipolar compound glutamic acid or derivatives secondary amine carboxamide group secondary carboxylic acid amide organic oxygen compound pyrroline dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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