DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:34 UTC
Update Date	2025-03-25 00:58:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230020
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₆N₂O₆S
Molecular Mass	480.2294
SMILES	CCCCCC=CCC=CC=CC=CC(=O)SCC(CC(=O)O)NC(=O)CCC(N)C(=O)O
InChI Key	QJGRTEFAIRIPLJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids dicarboxylic acids and derivatives fatty acyl thioesters hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids thioesters thiolactones
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide organosulfur compound carbothioic s-ester organic oxide organonitrogen compound alpha-amino acid organopnictogen compound fatty acyl thioester thiolactone thiocarboxylic acid or derivatives sulfenyl compound thiocarboxylic acid ester carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide thia fatty acid organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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