DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:15 UTC
Update Date	2025-03-25 00:50:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179067
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₁N₃OS
Molecular Mass	231.1405
SMILES	CSCCC(N)C(=O)NCC1CCCN1
InChI Key	HWEMZFIUNUDGLU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	methionine and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylamines dialkylthioethers hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds pyrrolidines secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl carbonyl group fatty amide organosulfur compound organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound secondary aliphatic amine sulfenyl compound alpha-amino acid amide azacycle dialkylthioether secondary amine carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

Showing information for DMID02179067