DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:26 UTC
Update Date	2025-03-25 00:59:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238809
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₈N₂O₁₅
Molecular Mass	500.149
SMILES	NC(=O)CC(NC(=O)OC1C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C1O)C(=O)O
InChI Key	HWQMYRYOVXZLJN-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 alpha-hydroxyaldehydes asparagine and derivatives beta-hydroxy aldehydes carbamate esters carboxylic acids fatty amides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary carboxylic acid amides secondary alcohols short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl beta-hydroxy aldehyde carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives oxane primary alcohol organoheterocyclic compound alcohol carbonic acid derivative carbamic acid ester aldehyde carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound saccharolipid organooxygen compound

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