DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:43:10 UTC
Update Date	2025-03-24 22:20:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01161831
Frequency	1.2
Structure
Chemical Formula	C₁₈H₃₂N₆O₂₇P₆
Molecular Mass	949.9741
SMILES	CC(=O)NC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(OP(=O)(O)O)C1O
InChI Key	QJNNGYSGKNEWBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside 2',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclitols and derivatives dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound cyclitol or derivatives carboxamide group oxacycle secondary carboxylic acid amide dialkyl phosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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