DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:51 UTC
Update Date	2025-03-25 00:52:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194002
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₇N₈O₁₃P₂+
Molecular Mass	719.195
SMILES	CN1CCN(c2cc[n+](C3OC(COP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C(O)C3O)cc2)CC1
InChI Key	UNVXQLMHHOWBCU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	aminopyridines and derivatives azacyclic compounds dialkylarylamines heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams methylpyridines monoalkyl phosphates monosaccharides n-arylpiperazines n-methylpiperazines n-substituted imidazoles organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyridinylpiperazines pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans trialkylamines
Substituents	purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound pyridine nucleotide alcohol azacycle n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine organic pyrophosphate pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine pentose phosphate pyrimidine organic oxide piperazine aromatic heteropolycyclic compound imidazole tertiary aliphatic/aromatic amine pyridinylpiperazine organopnictogen compound organic cation dialkylarylamine imidolactam aminopyridine tertiary amine azole n-substituted imidazole tetrahydrofuran hydroxypyridine n-methylpiperazine methylpyridine oxacycle organic oxygen compound phosphoric acid ester 1,4-diazinane secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative n-arylpiperazine alkyl phosphate organooxygen compound

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