DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:25:13 UTC
Update Date	2025-03-24 16:50:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00975129
Frequency	1.5
Structure
Chemical Formula	C₂₆H₃₈N₉O₂₀P₃
Molecular Mass	889.1446
SMILES	CC(O)C(NC(N)=O)C(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N3C=CCC(C(N)=O)=C3)C(O)C2O)C(O)C1O
InChI Key	NVMLGRUWQKTVEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinamide nucleotides
Direct Parent	nicotinamide nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-arylamides n-carbamoyl-alpha amino acids n-substituted imidazoles n-substituted nicotinamides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide alpha-amino acid or derivatives imidazopyrimidine saccharide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid dihydropyridine purine ribonucleoside triphosphate organoheterocyclic compound alcohol vinylogous amide alpha-amino acid amide azacycle heteroaromatic compound n-substituted-alpha-amino acid secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative enamine primary carboxylic acid amide fatty acyl carbonyl group pentose phosphate fatty amide n-arylamide carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole carbonic acid derivative tetrahydrofuran n-carbamoyl-alpha-amino acid carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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