DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:40 UTC
Update Date	2025-03-25 00:49:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175422
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₁N₅O₅
Molecular Mass	423.1543
SMILES	NC(=O)CCC(NC(=O)c1ccc(NCc2nc3ccccc3[nH]c2=O)cc1)C(=O)O
InChI Key	SPTIEDPRYFYXDF-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	glutamine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids diazanaphthalenes fatty amides heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary carboxylic acid amides pyrazines quinoxalines secondary alkylarylamines secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid glutamine or derivatives amino acid fatty amide benzoyl benzamide organic oxide diazanaphthalene aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives quinoxaline azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrazine phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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