DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:52 UTC
Update Date	2025-03-25 00:55:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02210199
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₈N₂O₃₄S₅
Molecular Mass	1116.0692
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2C(COS(=O)(=O)O)OC(OC3C(COS(=O)(=O)O)OC(COS(=O)(=O)O)C3O)C(O)C2NC(C)=O)C1O
InChI Key	YCWLVBQNKITQRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl sulfates carbonyl compounds carboxylic acids and derivatives dialkyl ethers hydrocarbon derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters tetrahydrofurans
Substituents	sulfuric acid monoester carbonyl group ether monosaccharide carboxylic acid derivative dialkyl ether organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives tetrahydrofuran carboxamide group oxacycle secondary carboxylic acid amide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester

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