DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:03:12 UTC
Update Date	2025-03-24 20:35:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01497164
Frequency	0.9
Structure
Chemical Formula	C₂₇H₄₀N₇O₂₂P₃
Molecular Mass	907.1439
SMILES	NC(=O)C1=CN(C2OC(COC3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C=CC1
InChI Key	NIKMGBQRTSJFCO-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	acetals amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles n-substituted nicotinamides organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide acetal aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dihydropyridine oxane imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-substituted nicotinamide oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate enamine

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