DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:02 UTC
Update Date	2025-03-21 18:29:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00079108
Frequency	36.9
Structure
Chemical Formula	C₁₃H₂₂N₂O₁₀
Molecular Mass	366.1274
SMILES	NC(CCC(=O)NCC(=O)OC1OC(CO)C(O)C(O)C1O)C(=O)O
InChI Key	CIZSHZJVTYBPPP-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 acyl glycines alpha amino acids alpha-amino acyl ester of carbohydrates carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines 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 carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid fatty amide monosaccharide fatty acid 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 n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound

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