DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:51:37 UTC
Update Date	2025-03-25 00:29:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02042179
Frequency	0.6
Structure
Chemical Formula	C₃₀H₃₈N₁₅O₁₉P₃
Molecular Mass	1005.1681
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC2C(O)C(COP(=O)(O)O)OC2n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	XDHDLSZIWIJBEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside 2',5'-bisphosphates 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 pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate 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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