DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:38 UTC
Update Date	2025-03-25 00:53:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198094
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₉N₅O₅S
Molecular Mass	521.2672
SMILES	CSCCC(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(N)CCCCN)C(=O)O
InChI Key	GDFFKYCEFKDDBN-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 amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylthioethers hydrocarbon derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides sulfenyl compounds tertiary carboxylic acid amides thia fatty acids
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organosulfur compound 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 sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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