DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:12 UTC
Update Date	2025-03-25 00:47:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160629
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₅O₈P
Molecular Mass	401.0736
SMILES	Nc1ncnc2c1ncn2C1OC2C(CCC(=O)O)OP(=O)(O)OC2C1O
InChI Key	USMZVBGHXDBNOZ-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	amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid monosaccharide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 3',5'-cyclic purine ribonucleotide oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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