DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:36:05 UTC
Update Date	2025-03-24 21:42:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01863247
Frequency	0.7
Structure
Chemical Formula	C₄₀H₇₁N₃O₂₀
Molecular Mass	913.4631
SMILES	CCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(O)C(O)C(O)C2O)C1NC(C)=O)NC(=O)CCC(N)C(=O)O
InChI Key	NBILPLUYCSYKFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl glycosides alpha amino acids carbonyl compounds carboxylic acids fatty acyl glycosides of mono- and disaccharides glutamine and derivatives hemiacetals 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 alpha-amino acid or derivatives carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkyl glycoside

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