DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:35 UTC
Update Date	2025-03-25 00:51:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186678
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₃N₄O₁₂P
Molecular Mass	470.105
SMILES	Nc1c(C(=O)NC(CO)C(O)C(O)C=O)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	TXCODHIWKAIWMY-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-hydroxyaldehydes amino acids and derivatives azacyclic compounds beta-hydroxy aldehydes carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group beta-hydroxy aldehyde aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide alpha-hydroxyaldehyde imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound aldehyde carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID02186678