DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:57 UTC
Update Date	2025-03-25 00:54:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203400
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₂O₁₃S
Molecular Mass	418.053
SMILES	O=C(O)CC(NC(=O)NC1C(O)OC(COS(=O)(=O)O)C(O)C1O)C(=O)O
InChI Key	HZMZBDCEAWCAQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-diols alkyl sulfates alpha amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monosaccharides n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols 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 heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide n-carbamoyl-alpha-amino acid or derivatives alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid oxane organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative organic sulfuric acid or derivatives n-carbamoyl-alpha-amino acid oxacycle organic oxygen compound sulfated fatty acid aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester saccharolipid organooxygen compound

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