DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:40 UTC
Update Date	2025-03-21 18:34:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00099663
Frequency	47.1
Structure
Chemical Formula	C₁₀H₁₄N₄O₁₂P₂
Molecular Mass	444.0083
SMILES	O=P(O)(O)OCC1OC(n2cnc3c(O)nc(O)nc32)C(O)C1OP(=O)(O)O
InChI Key	JOSMUQLWHKIKCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside 3',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyrimidines imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate hydroxypyrimidine imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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