DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:32 UTC
Update Date	2025-03-25 01:00:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02243669
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₇N₃O₁₄
Molecular Mass	543.2276
SMILES	CC(=O)NC1C(NC(CC(N)C(=O)O)C(O)CO)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key	GYOCVYYFHFSXEI-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 alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines hemiaminals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid hemiaminal saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide alcohol secondary aliphatic amine secondary amine carboxamide group amino fatty acid oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound amine

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