DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:56 UTC
Update Date	2025-03-25 00:49:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176072
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₄O₈
Molecular Mass	346.1125
SMILES	Nc1[nH]c(=O)n(C2OC(CO)C(O)C2O)c1C(=O)CC(N)C(=O)O
InChI Key	BISWZHOGPXCOLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	imidazole ribonucleosides and ribonucleotides
Direct Parent	imidazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids aryl alkyl ketones azacyclic compounds carbonylimidazoles carboxylic acids gamma-keto acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group imidazole ribonucleoside carboxylic acid aryl alkyl ketone aromatic heteromonocyclic compound amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative ketone saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound gamma-keto acid oxacycle monocarboxylic acid or derivatives organic oxygen compound keto acid secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound aryl ketone

Showing information for DMID02176072