DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:09:53 UTC
Update Date	2025-03-25 01:44:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02502234
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₂N₉O₂₆P₇
Molecular Mass	1042.9622
SMILES	NC1=NC=CN2C=NC1=CC1COP(OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C(O)C2O1
InChI Key	GPECDFOSOKZQQG-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	azacyclic compounds carboximidamides enamines formamidines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phosphacyclic compounds primary amines 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 phosphacycle pyrimidine propargyl-type 1,3-dipolar organic compound saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic 1,3-dipolar compound carboximidamide formamidine oxacycle 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 enamine

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