DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:29 UTC
Update Date	2025-03-25 00:53:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202355
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₆O₃S₂
Molecular Mass	360.1038
SMILES	CSCCNc1nc(SCCC(N)C(=O)O)nc(N)c1C(N)=O
InChI Key	HOVRUBAGWBPUTP-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	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alkylarylthioethers amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary carboxylic acid amides pyrimidinecarboxylic acids and derivatives secondary alkylarylamines sulfenyl compounds thia fatty acids vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid alkylarylthioether organosulfur compound aryl thioether pyrimidine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound vinylogous amide sulfenyl compound azacycle dialkylthioether heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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