DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:54 UTC
Update Date	2025-03-25 00:45:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150905
Frequency	0.5
Structure
Chemical Formula	C₅H₁₀N₂O₆S
Molecular Mass	226.026
SMILES	NC(CC(=O)O)CC(O)=NS(=O)(=O)O
InChI Key	BHEXPNUZAZUCQE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	short-chain hydroxy acids and derivatives
Direct Parent	short-chain hydroxy acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organic sulfuric acids and derivatives organonitrogen compounds organopnictogen compounds
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid organic sulfuric acid or derivatives short-chain hydroxy acid fatty acid carboxylic acid derivative organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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