DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:48 UTC
Update Date	2025-03-25 00:49:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175716
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₂O₁₄S₂
Molecular Mass	468.0356
SMILES	NC(CCC(=O)NC1C(O)OC(COS(=O)(=O)O)C(O)C1OS(=O)(=O)O)C(=O)O
InChI Key	XSXMPNLBAXHEOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	acylaminosugars
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alkyl sulfates alpha amino acids carbonyl compounds carboxylic acids glutamine and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes saccharolipids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfated fatty acids sulfuric acid monoesters
Substituents	fatty acyl sulfuric acid monoester carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid oxane organoheterocyclic compound alcohol organic sulfuric acid or derivatives carboxamide group n-acyl-amine acylaminosugar oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives sulfated fatty acid secondary alcohol sulfate-ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound sulfuric acid ester saccharolipid

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