DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:56 UTC
Update Date	2025-03-21 18:29:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076396
Frequency	38.6
Structure
Chemical Formula	C₂₃H₄₁N₃O₁₆
Molecular Mass	615.2487
SMILES	CC(=O)NC1C(O)CC(OCC2OC(N(O)C(CCCCN)C(=O)O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	VNPWAWMXSIWTDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids ketals medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides n-organohydroxylamines organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid medium-chain hydroxy acid organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives carboxamide group amino fatty acid n-organohydroxylamine oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound

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