DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:37 UTC
Update Date	2025-03-25 00:45:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150230
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₄O₅
Molecular Mass	362.159
SMILES	CC(=O)N1CCN(c2ccc(C(=O)NC(CC(N)=O)C(=O)O)cc2)CC1
InChI Key	ZQAQOGCNHOTPPK-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	asparagine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids aminobenzamides aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines fatty amides hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-arylpiperazines organic oxides organopnictogen compounds phenylpiperazines primary carboxylic acid amides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid fatty amide benzoyl benzamide organic oxide piperazine tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives dialkylarylamine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives carboxamide group aminobenzamide phenylpiperazine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound 1,4-diazinane hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound

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