DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:15 UTC
Update Date	2025-03-25 00:47:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163031
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₉N₃O₅S
Molecular Mass	387.1828
SMILES	O=C(CCCCC1SCC2NC(=O)NC21)NCCCCCC(O)C(=O)O
InChI Key	YWMMZRKANCEQLP-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 hydroxy acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazolidinones medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives monosaccharides n-acyl amines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid alpha-hydroxy acid fatty amide monosaccharide fatty acid thiophene carboxylic acid derivative medium-chain hydroxy acid aliphatic heteropolycyclic compound imidazolidinone saccharide organic oxide biotin_derivative organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid alcohol carbonic acid derivative azacycle dialkylthioether hydroxy acid thienoimidazolidine carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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