DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:58 UTC
Update Date	2025-03-21 18:05:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054980
Frequency	58.4
Structure
Chemical Formula	C₁₃H₁₇N₄O₁₁P
Molecular Mass	436.0631
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)O)ncn1C1OC(CO)C2OP(=O)(O)OC21
InChI Key	PKSDBDJIQNHNDW-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 heteropolycyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles n-acyl-alpha amino acids n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary alcohols primary amines secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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