DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:45 UTC
Update Date	2025-03-25 00:52:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02191583
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₃O₁₁S
Molecular Mass	415.0897
SMILES	CC(=O)NC1C(O)C(COS(=O)(=O)O)OC(NC(=O)CC(N)C(=O)O)C1O
InChI Key	AAMNXIMJYBBKDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl sulfates alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfated fatty acids sulfuric acid monoesters
Substituents	sulfuric acid monoester 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 alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives oxane organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives fatty n-acyl glycoside carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound sulfated fatty acid secondary alcohol sulfate-ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound sulfuric acid ester organooxygen compound

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