DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:30 UTC
Update Date	2025-03-25 00:47:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161298
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₇O₁₀P₂
Molecular Mass	469.0512
SMILES	NC(N)=Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O
InChI Key	QVWFGKXDYQZPKN-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 guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates propargyl-type 1,3-dipolar organic compounds purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans
Substituents	pentose phosphate guanidine purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine propargyl-type 1,3-dipolar organic compound 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 organic 1,3-dipolar 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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