DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:25 UTC
Update Date	2025-03-21 18:02:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039502
Frequency	88.0
Structure
Chemical Formula	C₁₄H₂₂N₄O₇S
Molecular Mass	390.1209
SMILES	CSCCC(NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N)C(=O)O
InChI Key	QYNJMNFOTKBZPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles methionine and derivatives monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thia fatty acids vinylogous amides
Substituents	carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives 2-heteroaryl carboxamide saccharide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether heteroaromatic compound secondary carboxylic acid amide thioether methionine or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid organosulfur compound carboxylic acid derivative organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group primary alcohol azole n-substituted imidazole tetrahydrofuran carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound secondary alcohol organic nitrogen compound organooxygen compound

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