DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:29:46 UTC
Update Date	2025-03-25 00:42:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02132236
Frequency	0.6
Structure
Chemical Formula	C₂₇H₄₁N₇O₂₅P₄
Molecular Mass	987.1103
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(OP(=O)(O)O)C4O)C(O)C(O)C3O)C(O)C2O)C=CC1
InChI Key	BTIJYIDQTKPXNF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates dihydropyridines enamines heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine purine ribonucleoside 2',5'-bisphosphate organonitrogen compound dihydropyridine oxane organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle dialkyl phosphate phosphoric acid ester secondary alcohol hexose phosphate purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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