DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:53 UTC
Update Date	2025-03-25 00:53:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203252
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₄N₂O₇
Molecular Mass	392.1584
SMILES	O=C(O)CCC(NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O)C(=O)O
InChI Key	XQIWHKXNZREHHV-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines glutamic acid and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids tertiary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid n-acylpyrrolidine tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid glutamic acid or derivatives secondary amine carboxamide group alpha-dipeptide pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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