DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:49:23 UTC
Update Date	2025-03-25 00:25:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01321735
Frequency	1.0
Structure
Chemical Formula	C₁₈H₃₀N₇O₂₄P₅
Molecular Mass	883.003
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C=NC(N3OC(CO)C(O)C3O)O2)C(O)C1O
InChI Key	BVLZLBNJKZPNJP-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	alkanolamines azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams imines isoxazolidines monoalkyl phosphates monosaccharides n-organohydroxylamines n-substituted imidazoles organic oxides organopnictogen compounds orthocarboxylic acid derivatives oxacyclic compounds oxazolines pentose phosphates primary alcohols primary amines propargyl-type 1,3-dipolar organic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate imine 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 orthocarboxylic acid derivative primary alcohol imidolactam organoheterocyclic compound alkanolamine azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound isoxazolidine organic 1,3-dipolar compound n-organohydroxylamine oxacycle oxazoline 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

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