DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:51 UTC
Update Date	2025-03-21 18:01:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00030995
Frequency	119.4
Structure
Chemical Formula	C₁₃H₂₀N₅O₁₁P
Molecular Mass	453.0897
SMILES	NC(=O)CC(NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N)C(=O)O
InChI Key	JQMXAUMGONYZOU-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 2-heteroaryl carboxamides alpha amino acids amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives 2-heteroaryl carboxamide saccharide organonitrogen compound alpha-amino acid asparagine or derivatives organoheterocyclic compound 1,2-diol n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid fatty amide carboxylic acid derivative organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group azole n-substituted imidazole tetrahydrofuran carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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