DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:26 UTC
Update Date	2025-03-25 00:53:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197603
Frequency	0.5
Structure
Chemical Formula	C₂₆H₃₈N₆O₆S
Molecular Mass	562.2574
SMILES	CCC(C)C(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCSC)C(=O)O
InChI Key	BPYGMRUYFIEAIL-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 dialkylthioethers heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles isoleucine and derivatives methionine 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 secondary carboxylic acid amides sulfenyl compounds thia fatty acids 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 organosulfur compound carboxylic acid derivative alpha peptide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid isoleucine or derivatives organoheterocyclic compound amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether heteroaromatic compound carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid phenylalanine or derivatives organic oxygen compound thioether methionine or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02197603