DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:14:32 UTC
Update Date	2025-03-25 01:21:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02372406
Frequency	0.5
Structure
Chemical Formula	C₄₀H₆₈N₂O₃₄S
Molecular Mass	1152.3374
SMILES	CC(=O)NC1C(O)C(OC2OC(COS(=O)(=O)O)C(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)OC2CO)C(O)C(NC(C)=O)C1OC1C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C1O
InChI Key	BJXDBXXUZKAFPD-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	1,4-dioxanes acetals acetamides alkyl glycosides alkyl sulfates alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acids and derivatives cyclitols and derivatives cyclohexanols dialkyl ethers hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary 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 monosaccharide carboxylic acid derivative dialkyl ether saccharide organic oxide alpha-hydroxyaldehyde acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives cyclohexanol aldehyde cyclitol or derivatives cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound para-dioxane secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester organooxygen compound alkyl glycoside

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