DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:24 UTC
Update Date	2025-03-21 18:34:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00099050
Frequency	27.7
Structure
Chemical Formula	C₉H₁₅N₃O₆S
Molecular Mass	293.0682
SMILES	NC(CCC(=O)NC(CSN=O)CC(=O)O)C(=O)O
InChI Key	BPRCJEQWUBBQMK-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines nitrosothiols organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid organosulfur compound nitrosothiol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic s-nitroso compound organic nitroso compound sulfenyl compound carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide thia fatty acid organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound nitrosothiol-group

Showing information for DMID00099050