DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:35 UTC
Update Date	2025-03-25 00:54:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209501
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₆N₂O₁₀
Molecular Mass	558.3152
SMILES	CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CCC1C(C(O)CNCCCC(N)C(=O)O)CCC12
InChI Key	LORHQYLHOPUVFY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	acetals alpha amino acids amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives glucuronic acid derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides o-glucuronides organic oxides 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 amino acid or derivatives amino acid heterocyclic fatty acid o-glucuronide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane organoheterocyclic compound alcohol secondary aliphatic amine pyran carboxylic acid or derivatives hydroxy acid secondary amine 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 DMID02209501