DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:25:08 UTC
Update Date	2025-03-24 21:37:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01836991
Frequency	0.7
Structure
Chemical Formula	C₅₉H₁₀₈N₂O₁₉
Molecular Mass	1148.7546
SMILES	CCCCCCCCCCCC(O)CC(=O)NC1C(OC(=O)CC(O)CCCCCCCCCCC)OC(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C(O)C1OC(=O)CC(O)CCCCCCCCCCC
InChI Key	BBAWMFINMOOFCG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides acylaminosugars beta hydroxy acids and derivatives c-glucuronides carbonyl compounds carboxylic acid esters carboxylic acids fatty acid esters fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monosaccharides n-acyl amines 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 fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid fatty amide monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine beta-hydroxy acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol amino saccharide pyran carboxylic acid or derivatives fatty acyl glycoside hydroxy acid carboxamide group n-acyl-amine acylaminosugar oxacycle secondary carboxylic acid amide fatty acid ester organic oxygen compound pyran carboxylic acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound saccharolipid organooxygen compound

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