DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:15:02 UTC
Update Date	2025-03-24 16:44:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00950483
Frequency	1.5
Structure
Chemical Formula	C₂₂H₃₁N₁₁O₁₉P₄
Molecular Mass	877.0748
SMILES	CC(=O)NC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(n2cnc3c(N)ncnc32)C1OP(=O)(O)O
InChI Key	ZZJYMTUZOJDNKG-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	1,2-diols acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine deoxyribonucleoside 2',5'-bisphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound acetamide azole 1,2-diol n-substituted imidazole alcohol purine deoxyribonucleoside 2',5'-bisphosphate azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine purine deoxyribonucleoside bisphosphate organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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