DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:22:54 UTC
Update Date	2025-03-25 01:49:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02531985
Frequency	0.5
Structure
Chemical Formula	C₂₅H₄₃NO₂₉S₃
Molecular Mass	917.1083
SMILES	COC1C(COS(=O)(=O)O)OC(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(O)C(O)OC(COS(=O)(=O)O)C3O)C2NC(C)=O)C(O)C1OC(C(=O)O)C(O)CO
InChI Key	VCHIANLHDMCBID-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols 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 ether carboxylic acid short-chain hydroxy acid heterocyclic fatty acid monosaccharide fatty acid carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine beta-hydroxy acid saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound sulfated fatty acid secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester saccharolipid organooxygen compound

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