DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:37:43 UTC
Update Date	2025-03-24 20:50:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01581143
Frequency	0.8
Structure
Chemical Formula	C₃₈H₆₂N₄O₂₉
Molecular Mass	1038.35
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(NC(=O)CCC(N)C(=O)O)C(=O)O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	ODOBKLKGCBKDCO-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids c-glucuronides carbonyl compounds carboxylic acids glutamine and derivatives hydrocarbon derivatives ketals monoalkylamines monosaccharides n-acyl amines n-acyl-alpha amino acids n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives fatty amide monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives pyran carboxylic acid n-acyl-alpha-hexosamine saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives c-glucuronide alcohol pyran carboxylic acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine alpha-dipeptide oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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