DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:24 UTC
Update Date	2025-03-25 00:48:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170210
Frequency	0.5
Structure
Chemical Formula	C₂₄H₄₄N₂O₉
Molecular Mass	504.3047
SMILES	CCCCCCCCCCCC=CC(O)C(N)C(=O)NCC(=O)OC1OC(CO)C(O)C(O)C1O
InChI Key	FCRRLJRDSSKYSB-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	peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acyl glycines alkyl glycosides alpha amino acid amides alpha amino acids alpha-amino acyl ester of carbohydrates carbonyl compounds carboxylic acid esters fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group fatty amide monosaccharide alpha-amino acid or derivatives alpha peptide saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol fatty acyl glycoside alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound alkyl glycoside

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