DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:47 UTC
Update Date	2025-03-21 17:59:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00021541
Frequency	185.5
Structure
Chemical Formula	C₁₂H₁₉N₄O₁₁P
Molecular Mass	426.0788
SMILES	Nc1c(C(=O)NC(CO)C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	GMZIFZUZPQGKQX-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 alcohols primary amines secondary alcohols secondary carboxylic acid amides serine and derivatives tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives 2-heteroaryl carboxamide beta-hydroxy acid saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 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 carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid carboxylic acid derivative organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group primary alcohol azole n-substituted imidazole tetrahydrofuran hydroxy acid carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol organic nitrogen compound serine or derivatives organic phosphoric acid derivative alkyl phosphate organooxygen compound

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