DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:01 UTC
Update Date	2025-03-25 01:02:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253922
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₆N₄O₆
Molecular Mass	418.1852
SMILES	CC(C)CC1N=C(CNc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)NC1=O
InChI Key	KBNHKBOHQQDPMP-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives imidazolinones n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines propargyl-type 1,3-dipolar organic compounds secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl benzamide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound imidazolinone 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 glutamic acid or derivatives carboximidamide secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound 2-imidazoline imidazoline dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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