DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:00:14 UTC
Update Date	2025-03-25 01:40:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02479833
Frequency	0.5
Structure
Chemical Formula	C₃₃H₅₇N₃O₂₂S
Molecular Mass	879.3154
SMILES	CC(=O)NC1C(OC2C(O)C(CSCCC(N)C(=O)O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(O)C1O
InChI Key	KKUOLJFUPQIUKW-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	acetals acetamides alpha amino acids carbonyl compounds carboxylic acids cyclitols and derivatives cyclohexanols dialkylthioethers heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative n-acyl-alpha-hexosamine saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide alcohol sulfenyl compound dialkylthioether cyclohexanol cyclitol or derivatives cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid organooxygen compound

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