DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:53:13 UTC
Update Date	2025-03-25 01:13:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02323241
Frequency	0.5
Structure
Chemical Formula	C₃₄H₅₈N₂O₄₀S₅
Molecular Mass	1294.1169
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(OC2OC(COS(=O)(=O)O)C(O)C(O)C2NC(C)=O)C(O)C(OC2C(COS(=O)(=O)O)OC(OC3C(O)C(O)OC(COS(=O)(=O)O)C3O)OC2COS(=O)(=O)O)C1O
InChI Key	URXOHXKUCRFZOU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dioxanes acetals acetamides alkyl sulfates carbonyl compounds carboxylic acid orthoesters carboxylic acids and derivatives cyclitols and derivatives cyclohexanols dialkyl ethers hemiacetals hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal orthocarboxylic acid derivative oxane organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives cyclohexanol cyclitol or derivatives cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester meta-dioxane

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