DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:08 UTC
Update Date	2025-03-25 00:51:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185625
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₂N₈O₆S
Molecular Mass	536.2166
SMILES	Nc1ncnc2c1ncn2C1OC(COCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(O)C1O
InChI Key	LOMLEUIDFVTRPS-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	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl ethers dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidazolidinones imidolactams monosaccharides n-acyl amines n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary amines purine nucleosides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine fatty acyl carbonyl group ether amino acid or derivatives fatty amide monosaccharide imidazopyrimidine thiophene carboxylic acid derivative dialkyl ether pyrimidine imidazolidinone saccharide organic oxide biotin_derivative aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam azole 1,2-diol n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran dialkylthioether purine nucleoside heteroaromatic compound thienoimidazolidine carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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