DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:42 UTC
Update Date	2025-03-21 18:32:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00090029
Frequency	31.3
Structure
Chemical Formula	C₁₂H₂₁N₃O₁₁S
Molecular Mass	415.0897
SMILES	CC(=O)NC1C(NC(=O)CC(N)C(=O)O)OC(COS(=O)(=O)O)C(O)C1O
InChI Key	ROOWELBVCAONMS-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	1,2-diols 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 1,2-diol 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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