DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:30 UTC
Update Date	2025-03-25 00:51:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186484
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇N₁₀O₁₆P₃
Molecular Mass	756.0819
SMILES	NC1=c2ncc(n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OP(=O)(O)O)C(O)C2O)=NC=N1
InChI Key	BVSZWBNHHLITLV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates propargyl-type 1,3-dipolar organic compounds purine ribonucleoside 3',5'-bisphosphates purine ribonucleoside diphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine propargyl-type 1,3-dipolar organic compound saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound organic 1,3-dipolar compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary aliphatic amine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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