DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:47:12 UTC
Update Date	2025-03-25 01:34:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02449084
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₉N₁₀O₂₃P₅
Molecular Mass	932.0095
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(OP(=O)(O)O)C2O)c(=O)[nH]1
InChI Key	QBTIYZCQMGFWON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside 2',5'-bisphosphates purine ribonucleoside 3',5'-bisphosphates purines and purine derivatives pyrimidones ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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