DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:42 UTC
Update Date	2025-03-25 00:54:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207409
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₇N₆O₉+
Molecular Mass	541.2617
SMILES	Nc1c[n+](CCCCC(N)C(=O)O)cc(CCC(N)C(=O)O)c1CC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	QNZOUODLQYUSOQ-UHFFFAOYSA-O
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 heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkylamines n-acyl amines n-acyl-alpha amino acids organic cations organic oxides organopnictogen compounds polyhalopyridines secondary carboxylic acid amides tetracarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound amino acid or derivatives amino acid polyhalopyridine fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine tetracarboxylic acid or derivatives carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide pyridine organic oxygen compound hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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