DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:01 UTC
Update Date	2025-03-25 00:50:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180827
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₁N₃O₉
Molecular Mass	423.1278
SMILES	O=C(O)CCC(NC(=O)c1ccc(NC(=O)N2CC(O)CC2C(=O)O)cc1)C(=O)O
InChI Key	NFJHTBAABLTJER-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 azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-phenylureas organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound benzoyl tricarboxylic acid or derivatives benzamide organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol carbonic acid derivative azacycle n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives carboxamide group secondary carboxylic acid amide n-phenylurea pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound pyrrolidine-1-carboxamide

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