DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:36 UTC
Update Date	2025-03-25 00:56:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221248
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆N₅O₁₁P
Molecular Mass	461.0584
SMILES	O=C(O)CC(Nc1nc2c(ncn2C2OC3COP(=O)(O)OC3C2O)c(=O)[nH]1)C(=O)O
InChI Key	CPLUNDMFQVTIKM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	3',5'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monosaccharides n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidones secondary alcohols secondary alkylarylamines tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid pentose phosphate amino acid or derivatives amino acid monosaccharide pyrimidone alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound 3',5'-cyclic purine ribonucleotide secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hypoxanthine hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative organooxygen compound amine

Showing information for DMID02221248