DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:31 UTC
Update Date	2025-03-25 00:57:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223377
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₅I₂N₅O₃S
Molecular Mass	586.8985
SMILES	NC(N)=Nc1nc(COc2c(I)cc(CC(N)C(=O)O)cc2I)cs1
InChI Key	DKMBIIZYRGUICU-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2,4-disubstituted thiazoles alkyl aryl ethers alpha amino acids amphetamines and derivatives aryl iodides azacyclic compounds carbonyl compounds carboxylic acids guanidines heteroaromatic compounds hydrocarbon derivatives iodobenzenes monoalkylamines monocarboxylic acids and derivatives organic oxides organoiodides organopnictogen compounds phenol ethers phenoxy compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid guanidine alkyl aryl ether organohalogen compound iodobenzene organoiodide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives azole azacycle heteroaromatic compound organic 1,3-dipolar compound aryl halide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound 2,4-disubstituted 1,3-thiazole hydrocarbon derivative benzenoid primary aliphatic amine aryl iodide organic nitrogen compound halobenzene phenoxy compound thiazole organooxygen compound

Showing information for DMID02223377