DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:15 UTC
Update Date	2025-03-25 00:54:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206386
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₃N₅O₇S
Molecular Mass	475.2101
SMILES	NC(CCCCNC(=O)CCNC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O)C(=O)O
InChI Key	HCOVHGGLKNOEPD-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 acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives imidazolidinones medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfones thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives thiophene carboxylic acid derivative aliphatic heteropolycyclic compound imidazolidinone organic oxide biotin_derivative organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid carbonic acid derivative azacycle thienoimidazolidine carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound sulfone

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