DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:34:17 UTC
Update Date	2025-03-24 21:41:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01858927
Frequency	0.7
Structure
Chemical Formula	C₂₀H₃₀N₉O₂₈P₇
Molecular Mass	1060.9364
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4ncncc43)C(O)C2O)C(O)C1O
InChI Key	YLWVNFLRJPYUIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 2'-deoxyribonucleoside polyphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine 2',3'-dideoxyribonucleoside polyphosphates purine 3'-deoxyribonucleoside polyphosphates purine ribonucleoside monophosphates purine ribonucleoside polyphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	purine 2',3'-dideoxyribonucleoside polyphosphate pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine purine 2'-deoxyribonucleoside polyphosphate pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound purine 3'-deoxyribonucleoside polyphosphate purine ribonucleoside polyphosphate oxacycle 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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