DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:01 UTC
Update Date	2025-03-25 00:58:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02228832
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₀N₄O₉
Molecular Mass	506.2013
SMILES	CC(=O)NC(CCC(=O)N1CCN(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)CC1)C(=O)O
InChI Key	AWGXJYOANDTBFF-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	acetamides alpha amino acids amino acids aminobenzamides aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines glutamic acid and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-arylpiperazines organic oxides organopnictogen compounds phenylpiperazines secondary carboxylic acid amides tertiary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound amino acid benzoyl tricarboxylic acid or derivatives benzamide organic oxide piperazine tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound 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 glutamic acid or derivatives carboxamide group aminobenzamide phenylpiperazine secondary carboxylic acid amide organic oxygen compound 1,4-diazinane hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound

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