DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:40 UTC
Update Date	2025-03-25 00:53:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198155
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁NO₉
Molecular Mass	311.1216
SMILES	CC(NC1C(O)OC(CO)C(O)C1O)C(O)C(O)C(=O)O
InChI Key	WKLVYJHGUMYUCE-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	alpha hydroxy acids and derivatives amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines gamma amino acids and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids methyl-branched fatty acids monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide fatty acid carboxylic acid derivative beta-hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal hydroxy fatty acid oxane primary alcohol organoheterocyclic compound alcohol secondary aliphatic amine methyl-branched fatty acid hydroxy acid secondary amine branched fatty acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound saccharolipid organooxygen compound amine

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