DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:34 UTC
Update Date	2025-03-21 18:05:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058776
Frequency	53.7
Structure
Chemical Formula	C₁₉H₂₆N₇O₁₇P₃
Molecular Mass	717.0598
SMILES	Nc1ncnc2c1ncn2C1OC(CO[PH](=O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1O
InChI Key	QHAYTHDENUAGIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine nucleosides purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound organic pyrophosphate oxacycle pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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