DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:53 UTC
Update Date	2025-03-25 00:57:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224202
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₉N₅O₁₂P₂
Molecular Mass	547.0505
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)Oc2cccc(C(=O)O)c2)C(O)C1O
InChI Key	LVYRKISFBMYWJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols amino acids azacyclic compounds benzoic acids benzoyl derivatives carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates phenoxy compounds primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety carboxylic acid pentose phosphate amino acid or derivatives amino acid purine ribonucleoside monophosphate benzoyl monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound benzoic acid imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound benzoic acid or derivatives organic pyrophosphate oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine benzenoid primary amine organic nitrogen compound phenoxy compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID02224202