DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:53 UTC
Update Date	2025-03-25 00:46:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153190
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₀N₄O₅
Molecular Mass	360.1434
SMILES	NC(=O)CCC(NC(=O)c1ccc(NCC2=NC(=O)CC2)cc1)C(=O)O
InChI Key	FGUIXCZBOLUSEA-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids fatty amides hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylimines organic oxides organopnictogen compounds phenylalkylamines primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds pyrrolines secondary alkylarylamines secondary carboxylic acid amides
Substituents	n-acylimine primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound amino acid fatty amide benzoyl benzamide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives pyrroline organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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