DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:07 UTC
Update Date	2025-03-25 00:46:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156070
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁N₃O₆S
Molecular Mass	359.1151
SMILES	CSCCC(NC(=O)c1cn(C2CC(O)C(CO)O2)cn1)C(=O)O
InChI Key	TYTPKBUAEAOXRQ-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	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thia fatty acids vinylogous amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound monosaccharide organosulfur compound 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide sulfenyl compound azacycle n-acyl-alpha-amino acid tetrahydrofuran dialkylthioether heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

Showing information for DMID02156070