DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:24:28 UTC
Update Date	2025-03-24 16:49:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00973365
Frequency	1.5
Structure
Chemical Formula	C₂₆H₄₂N₁₀O₃₆P₈
Molecular Mass	1317.9664
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C2OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	ZBBKWVBZJGODRV-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 dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams inositol phosphates monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine inositol phosphate pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound cyclitol or derivatives oxacycle 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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