DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:48:53 UTC
Update Date	2025-03-25 00:25:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01320520
Frequency	1.0
Structure
Chemical Formula	C₄₇H₇₈N₄O₁₀S
Molecular Mass	890.5439
SMILES	CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CC(CCCCCCCC=CCCCCC)NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)CCCC(=O)O
InChI Key	BZOIZRBJBDKUOB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers dipeptides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alcohol sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine beta amino acid or derivatives n-acylglycine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound thioether cysteine or derivatives secondary alcohol hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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