DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:24:26 UTC
Update Date	2025-03-25 01:50:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02535682
Frequency	0.5
Structure
Chemical Formula	C₃₇H₆₂N₂O₃₂S
Molecular Mass	1078.3006
SMILES	CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)OC(COS(=O)(=O)O)C1OC1C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C1O
InChI Key	RPMSGMRTBOMJPI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl glycosides alkyl sulfates alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acids dialkyl ethers hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde sulfuric acid monoester carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether saccharide organic oxide alpha-hydroxyaldehyde acetal ketal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives aldehyde carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester organooxygen compound alkyl glycoside

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