DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:32 UTC
Update Date	2025-03-25 00:45:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152360
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₂O₁₀S
Molecular Mass	388.1152
SMILES	NC(CCCCNC1OC(COS(=O)(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	SYHFUDAQVWVSLD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	sulfated fatty acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alkyl sulfates alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines hemiaminals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes secondary alcohols sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid hemiaminal saccharide organic oxide alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid oxane organoheterocyclic compound alcohol secondary aliphatic amine organic sulfuric acid or derivatives secondary amine oxacycle 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 amine

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