DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:15:01 UTC
Update Date	2025-03-24 21:33:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01813555
Frequency	0.7
Structure
Chemical Formula	C₂₄H₄₃N₂O₂₆PS₂
Molecular Mass	870.1283
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2(C(=O)O)CC(OP(=O)(O)OCCN)C(O)C(C(O)CO)O2)C1O
InChI Key	KWOMOECVUIDDOJ-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	acetamides alkyl sulfates c-glucuronides 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	fatty acyl glycoside of mono- or disaccharide sulfuric acid monoester carbonyl group carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid phosphoethanolamine saccharide 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 organic oxygen compound 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 organooxygen compound

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