DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:20 UTC
Update Date	2025-03-25 01:00:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02245557
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₄N₄O₄
Molecular Mass	418.258
SMILES	CCOC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(N)CCCCN
InChI Key	MZHMRSFUCXAHAW-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 acid esters alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acid esters fatty acid esters hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide 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 polypeptide alpha-amino acid amide alpha-amino acid ester azacycle n-acyl-alpha-amino acid carboxamide group secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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