DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:28 UTC
Update Date	2025-03-25 00:50:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184096
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₂O₈
Molecular Mass	322.1376
SMILES	NC(CCCCNC1C(O)OC(C(=O)O)C(O)C1O)C(=O)O
InChI Key	MQJASTDPALDRKE-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 amino acids amino fatty acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives dialkylamines dicarboxylic acids and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid medium-chain hydroxy acid beta-hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal delta amino acid or derivatives medium-chain fatty acid hydroxy fatty acid oxane organoheterocyclic compound 1,2-diol alcohol secondary aliphatic amine pyran carboxylic acid or derivatives hydroxy acid secondary amine amino fatty acid oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound amine

Showing information for DMID02184096