DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:37 UTC
Update Date	2025-03-25 00:49:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173022
Frequency	0.5
Structure
Chemical Formula	C₃₄H₄₆N₆O₇
Molecular Mass	650.3428
SMILES	CCC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)O
InChI Key	JQIHNKKDKCYBBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteropolycyclic 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 heteroaromatic compounds hydrocarbon derivatives indoles isoleucine and derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives pyrroles secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid indole fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aromatic heteropolycyclic compound leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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