DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:35:13 UTC
Update Date	2025-03-24 21:41:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01861191
Frequency	0.7
Structure
Chemical Formula	C₃₂H₄₆N₈O₂₄P₃+
Molecular Mass	1019.1832
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(OCC2OC([n+]3cccc(C(N)=O)c3)C(O)C2O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	FWIOVFVQZRAJTA-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	acetamides amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams methylpyridines monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines n-substituted imidazoles nicotinamides organic cations organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sugar acids and derivatives tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine dialkyl ether muramic_acid saccharide organonitrogen compound oxane purine ribonucleoside triphosphate organoheterocyclic compound acetamide pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound secondary carboxylic acid amide pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine primary carboxylic acid amide carbonyl group ether pentose phosphate amino acid carboxylic acid derivative n-acyl-alpha-hexosamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine methylpyridine carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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