DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:00 UTC
Update Date	2025-03-21 18:40:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00131814
Frequency	19.2
Structure
Chemical Formula	C₁₁H₁₆N₄O₇
Molecular Mass	316.1019
SMILES	Nc1c(C(=O)C(N)C(=O)O)ncn1C1OC(CO)C(O)C1O
InChI Key	LXNKXVHZXGCMNC-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	1,3-dicarbonyl compounds alpha amino acids amino acids aryl alkyl ketones azacyclic compounds beta-hydroxy ketones beta-keto acids and derivatives carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols tetrahydrofurans vinylogous amides
Substituents	beta-hydroxy ketone 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 beta-keto acid 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 azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound keto acid secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound 1,3-dicarbonyl compound amine organooxygen compound aryl ketone

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