DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:26 UTC
Update Date	2025-03-25 00:45:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149820
Frequency	0.5
Structure
Chemical Formula	C₉H₁₅N₃O₃S
Molecular Mass	245.0834
SMILES	CSCCC(NC(=O)C1N=CCN1)C(=O)O
InChI Key	ATZQUZSYGILZAM-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dialkylthioethers heterocyclic fatty acids hydrocarbon derivatives imidazolines imines methionine and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid imine fatty acid alpha-amino acid or derivatives organosulfur compound propargyl-type 1,3-dipolar organic compound organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether organic 1,3-dipolar compound secondary amine carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether imidazoline methionine or derivatives 3-imidazoline hydrocarbon derivative organic nitrogen compound organooxygen compound amine

Showing information for DMID02149820