DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:35:37 UTC
Update Date	2025-03-24 22:16:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01143120
Frequency	1.2
Structure
Chemical Formula	C₃₁H₅₂N₂O₃₄S₃
Molecular Mass	1092.1564
SMILES	CC(=O)NC1C(O)C(OC2OC(COS(=O)(=O)O)C(O)C(OC3(C(=O)O)OC(COS(=O)(=O)O)C(O)C(C(O)C(O)CO)O3)C2O)C(O)C(NC(C)=O)C1OC1C(O)C(O)OC(COS(=O)(=O)O)C1O
InChI Key	ZJWLZYJSEULWGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	streptamine aminoglycosides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dioxanes acetals acetamides alkyl sulfates carbonyl compounds carboxylic acid orthoesters carboxylic acids cyclitols and derivatives cyclohexanols dialkyl ethers hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative dialkyl ether organic oxide acetal streptamine aminoglycoside alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal orthocarboxylic acid derivative oxane primary alcohol organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives cyclohexanol cyclitol or derivatives cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester meta-dioxane

Showing information for DMID01143120