DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:29 UTC
Update Date	2025-03-21 17:59:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00023092
Frequency	170.8
Structure
Chemical Formula	C₁₃H₂₁N₄O₁₁P
Molecular Mass	440.0944
SMILES	CC(O)C(NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N)C(=O)O
InChI Key	RKUNBIMYLHYNTP-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 amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carbonylimidazoles carboxylic acids 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 secondary alcohols secondary carboxylic acid amides 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 2-heteroaryl carboxamide beta-hydroxy acid saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group 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 hydroxy acid carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives 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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