DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:31 UTC
Update Date	2025-03-25 00:51:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184195
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₅O₈
Molecular Mass	373.1234
SMILES	NC(=O)c1cn(C2OC(CO)C(O)C2O)nc1NC(=O)C(N)CC(=O)O
InChI Key	JKMXJVBEHBJSLX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrazole ribonucleosides and ribonucleotides
Subclass	pyrazole ribonucleosides and ribonucleotides
Direct Parent	pyrazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-arylamides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary carboxylic acid amides pyrazoles secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide monosaccharide n-arylamide alpha-amino acid or derivatives carboxylic acid derivative pyrazole 1-ribofuranosylpyrazole saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole alcohol vinylogous amide alpha-amino acid amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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