DeepMet

Record Information
HMDB Status	quantified
Creation Date	2024-02-20 23:33:35 UTC
Update Date	2025-03-21 17:56:09 UTC
HMDB ID	HMDB0001517
Metabolite Identification
DeepMet ID	DMID00000455
Name	AICAR
Frequency	11162.0
Structure
Chemical Formula	C₉H₁₅N₄O₈P
Molecular Mass	338.0628
SMILES	NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N
InChI Key	NOTGFIUVDGNKRI-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 amino acids and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle 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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