DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:48:39 UTC
Update Date	2025-03-25 01:35:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02452470
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₄N₄O₂₆S₃
Molecular Mass	924.1406
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2C(COS(=O)(=O)O)OC(NC(=O)CC(N)C(=O)O)C(NC(C)=O)C2O)C1O
InChI Key	GUTNHONJARHNOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl sulfates alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids fatty acyl glycosides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfated fatty acids sulfuric acid monoesters
Substituents	fatty acyl sulfuric acid monoester carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives oxane organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives fatty n-acyl glycoside carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound sulfated fatty acid secondary alcohol sulfate-ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound sulfuric acid ester saccharolipid organooxygen compound

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