DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:22:59 UTC
Update Date	2025-03-24 21:36:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01831859
Frequency	0.7
Structure
Chemical Formula	C₄₅H₇₅N₃O₃₆S
Molecular Mass	1265.3851
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C(NC(C)=O)C2O)C1O
InChI Key	OHGPTPYUUCOMBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl glycosides alkyl sulfates alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acids fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde sulfuric acid monoester carbonyl group carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal ketal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives fatty acyl glycoside aldehyde carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester alkyl glycoside

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