DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:51 UTC
Update Date	2025-03-25 00:59:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239736
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₆O₃S₂
Molecular Mass	372.1038
SMILES	NC(N)=Nc1nc(CSCC(N)C(=O)N2CCCC2C(=O)O)cs1
InChI Key	BNXVSWKMWXKHLL-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	aromatic heteromonocyclic compounds
Alternative Parents	2,4-disubstituted thiazoles alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers guanidines heteroaromatic compounds hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidine carboxylic acids sulfenyl compounds tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound guanidine n-acylpyrrolidine alpha-amino acid or derivatives organosulfur compound propargyl-type 1,3-dipolar organic compound organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives proline or derivatives sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether heteroaromatic compound organic 1,3-dipolar compound carboxamide group alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound thioether 2,4-disubstituted 1,3-thiazole hydrocarbon derivative primary aliphatic amine organic nitrogen compound thiazole organooxygen compound

Showing information for DMID02239736