DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:20:52 UTC
Update Date	2025-03-21 18:36:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00112421
Frequency	23.6
Structure
Chemical Formula	C₃₅H₆₄N₂O₁₅
Molecular Mass	752.4307
SMILES	CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(=O)CCC(N)C(=O)O
InChI Key	NVKFLBLVXJTKIA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	sphingolipids
Subclass	glycosphingolipids
Direct Parent	glycosphingolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alkyl glycosides alpha amino acids carbonyl compounds carboxylic acids fatty acyl glycosides of mono- and disaccharides glutamine and derivatives 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 primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid fatty amide monosaccharide glycosphingolipid alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound alcohol fatty acyl glycoside carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound alkyl glycoside

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