DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:25 UTC
Update Date	2025-03-21 18:42:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00137318
Frequency	18.2
Structure
Chemical Formula	C₁₂H₂₀N₂O₁₀
Molecular Mass	352.1118
SMILES	NC(CCCNC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	NGGRKNDKZAJNQY-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 alpha amino acids beta hydroxy acids and derivatives carbamate esters carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides o-glucuronides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glucuronic acid or derivatives heterocyclic fatty acid o-glucuronide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane organoheterocyclic compound alcohol carbonic acid derivative pyran carboxylic acid or derivatives carbamic acid ester hydroxy acid oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound

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