DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:50 UTC
Update Date	2025-03-25 00:47:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02159841
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅N₆O₁₉P₃
Molecular Mass	734.0387
SMILES	O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]cnc54)C(O)C3OP(=O)(O)O)C(O)C2O)c(=O)[nH]1
InChI Key	KYMXELHOJVZXEX-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside 3',5'-bisphosphates purines and purine derivatives pyrimidine ribonucleoside diphosphates pyrimidones ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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