DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:13 UTC
Update Date	2025-03-25 00:47:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160677
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₁N₆O₁₈P₃
Molecular Mass	748.0908
SMILES	Nc1ncnc2c1ncn2C1OC(CO[PH](O)(O)OP(=O)(O)O[PH](=O)(=O)OCC2OC(N3C=CCC(C(=O)O)=C3)C(O)C2O)C(O)C1O
InChI Key	OHDRVGFSASHGFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids dihydropyridines enamines 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 primary amines purine nucleosides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid purine ribonucleoside monophosphate monosaccharide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dihydropyridine imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound enamine

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