DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:27:58 UTC
Update Date	2025-03-24 21:38:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01843695
Frequency	0.7
Structure
Chemical Formula	C₁₆H₂₈N₅O₂₇P₅S
Molecular Mass	908.938
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C2OS(=O)(=O)O)C(O)C1O
InChI Key	DMLWAYJAJPIMMZ-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 alkyl sulfates azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams inositol phosphates monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfuric acid monoesters tetrahydrofurans
Substituents	sulfuric acid monoester pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine inositol phosphate pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole alkyl sulfate organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound cyclitol or derivatives oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol sulfate-ester hydrocarbon derivative purine primary amine organic nitrogen compound sulfuric acid ester organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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