DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:19 UTC
Update Date	2025-03-25 00:45:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151882
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₉N₅O₈S
Molecular Mass	533.2519
SMILES	NC(CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NC1OC(CO)C(O)C(O)C1O
InChI Key	MSNTXTORLDTTGX-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	alpha amino acid amides alpha amino acids aminosaccharides azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylthioethers fatty acyl glycosides hydrocarbon derivatives imidazolidinones monoalkylamines monosaccharides n-acyl amines 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 carbonyl group fatty amide monosaccharide alpha-amino acid or derivatives thiophene carboxylic acid derivative aliphatic heteropolycyclic compound imidazolidinone saccharide organic oxide biotin_derivative organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol alcohol amino saccharide carbonic acid derivative alpha-amino acid amide azacycle dialkylthioether fatty n-acyl glycoside thienoimidazolidine carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02151882