DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:14:36 UTC
Update Date	2025-03-25 01:21:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02372547
Frequency	0.5
Structure
Chemical Formula	C₄₉H₈₅NO₃₁
Molecular Mass	1183.5106
SMILES	CCCCCCCCCCCC(O)CC(=O)OC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O
InChI Key	KLBLZZDFLZVPHQ-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 alkyl glycosides alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes c-glucuronides carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid beta-hydroxy acid saccharide organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside aldehyde hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide fatty acid ester organic oxygen compound pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound saccharolipid organooxygen compound alkyl glycoside

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