DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:30 UTC
Update Date	2025-03-25 01:01:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248264
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆N₂O₁₁
Molecular Mass	352.0754
SMILES	NC(=O)CC(NC(=O)OC1C(C(=O)O)OC(O)C(O)C1O)C(=O)O
InChI Key	QMRFMWPHUYKLCX-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	1,2-diols alpha amino acids asparagine and derivatives carbamate esters carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides glucuronic acid derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary carboxylic acid amides pyran carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glucuronic acid or derivatives heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid asparagine or derivatives oxane organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative pyran carboxylic acid or derivatives carbamic acid ester carboxamide group oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound saccharolipid organooxygen compound

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