DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:53 UTC
Update Date	2025-03-21 18:41:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136070
Frequency	18.4
Structure
Chemical Formula	C₁₃H₂₀N₅O₁₁P
Molecular Mass	453.0897
SMILES	Nc1c(C(=O)NC(=O)CC(N)C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	KJNXYMFUJAEPMK-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	1,2-diols alpha amino acids amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboximides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-substituted imidazoles n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pentose-5-phosphate alpha-amino acid or derivatives carboxylic acid derivative carboxylic acid imide, n-unsubstituted saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group dicarboximide asparagine or derivatives organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound n-acyl-amine 1-ribosyl-imidazolecarboxamide carboxylic acid imide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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