DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:39 UTC
Update Date	2025-03-25 01:01:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248583
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₂N₄O₅
Molecular Mass	350.159
SMILES	NC(=NCC(=O)O)C(Cc1ccccc1)NC(=O)CCC(N)C(=O)O
InChI Key	PNDJBGOCSYGWPB-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 homomonocyclic compounds
Alternative Parents	alpha amino acids amidines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives fatty amide amidine propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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