DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:30 UTC
Update Date	2025-03-21 18:06:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00061022
Frequency	51.2
Structure
Chemical Formula	C₁₇H₂₉N₅O₁₆P₂
Molecular Mass	621.1085
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc(C(N)=O)c3N)C(O)C2O)OC(CO)C(O)C1O
InChI Key	LABHXTHVHKHSEV-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 acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-acyl-alpha-hexosamines n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate carboxylic acid derivative 2-heteroaryl carboxamide n-acyl-alpha-hexosamine saccharide organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group oxane primary alcohol organoheterocyclic compound acetamide azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate 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

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