DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:21 UTC
Update Date	2025-03-21 18:38:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118512
Frequency	22.0
Structure
Chemical Formula	C₁₉H₂₅N₃O₆
Molecular Mass	391.1743
SMILES	O=C(O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1)C(=O)O
InChI Key	JIWJRKNYLSHONY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
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 dicarboxylic acids and derivatives fatty amides glutamic acid and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide 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 polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid glutamic acid or derivatives secondary amine carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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