DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:31:46 UTC
Update Date	2025-03-24 22:06:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01994747
Frequency	0.6
Structure
Chemical Formula	C₁₉H₂₆N₁₁O₂₁P₅
Molecular Mass	898.9993
SMILES	NC1=C2N=CN(C3=NC=NC3=N1)C2OC(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	VROTZBPJIKQGFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1,4-diazepines azacyclic compounds carboximidamides formamidines hemiacetals heteroaromatic compounds hydrocarbon derivatives imidazoles imidazolines imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates propargyl-type 1,3-dipolar organic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate amidine imidazopyrimidine pyrimidine propargyl-type 1,3-dipolar organic compound saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound hemiacetal imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic 1,3-dipolar compound carboximidamide formamidine oxacycle para-diazepine organic oxygen compound phosphoric acid ester 2-imidazoline monoalkyl phosphate imidazoline secondary alcohol hydrocarbon derivative primary aliphatic amine purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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