DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:57 UTC
Update Date	2025-03-25 00:58:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233168
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₁N₅O₅
Molecular Mass	445.2325
SMILES	CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)Cc1cncn1C)C(=O)O
InChI Key	QGWSXHVYEKLASY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives organoheterocyclic compound amphetamine or derivatives azole n-substituted imidazole n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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