DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:42 UTC
Update Date	2025-03-25 00:54:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209813
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₆O₃S₂
Molecular Mass	346.0882
SMILES	CC(N)C(=O)NC(CSCc1csc(N=C(N)N)n1)C(=O)O
InChI Key	ZPFCOTYLHVVTJR-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 alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers guanidines heteroaromatic compounds hydrocarbon derivatives monoalkylamines 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
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound guanidine alpha-amino acid or derivatives organosulfur compound propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid 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 secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether 2,4-disubstituted 1,3-thiazole cysteine or derivatives alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound thiazole organooxygen compound

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