DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:07 UTC
Update Date	2025-03-25 00:57:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02222436
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₇N₃O₁₇S
Molecular Mass	729.2626
SMILES	O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2NC(=O)CCCCC2SCC3NC(=O)NC32)C1O)C(O)CO
InChI Key	CBFKSPPCAOSIAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	biotin and derivatives
Subclass	biotin and derivatives
Direct Parent	biotin and derivatives
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	acetals acylaminosugars alkyl glycosides alpha-hydroxyaldehydes azacyclic compounds beta-hydroxy aldehydes carboxylic acids and derivatives dialkylthioethers fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives imidazolidinones monosaccharides n-acyl amines n-acyl-alpha-hexosamines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group fatty amide monosaccharide thiophene carboxylic acid derivative n-acyl-alpha-hexosamine aliphatic heteropolycyclic compound imidazolidinone saccharide organic oxide alpha-hydroxyaldehyde acetal biotin_derivative organonitrogen compound organopnictogen compound oxane primary alcohol alcohol amino saccharide carbonic acid derivative fatty acyl glycoside azacycle dialkylthioether aldehyde thienoimidazolidine carboxamide group n-acyl-amine acylaminosugar oxacycle secondary carboxylic acid amide organic oxygen compound thioether secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside

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