DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:03:30 UTC
Update Date	2025-03-25 00:33:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02070268
Frequency	0.6
Structure
Chemical Formula	C₂₅H₄₅N₂O₂₆PS₂
Molecular Mass	884.144
SMILES	COC1OC(COS(=O)(=O)O)C(OC2OC(COS(=O)(=O)O)CC(O)C2NC(C)=O)C(O)C1OC1(C(=O)O)CC(OP(=O)(O)OCCN)C(O)C(C(O)CO)O1
InChI Key	ZLKVXAVHWRGVHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl sulfates carbonyl compounds carboxylic acids dialkyl phosphates hydrocarbon derivatives ketals monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phosphoethanolamines primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid phosphoethanolamine organic oxide 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 carboxamide group oxacycle secondary carboxylic acid amide dialkyl phosphate monocarboxylic acid or derivatives phosphoric acid ester pyran secondary alcohol sulfate-ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound sulfuric acid ester organic phosphoric acid derivative alkyl phosphate

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