DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:16:42 UTC
Update Date	2025-03-25 01:47:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02517983
Frequency	0.5
Structure
Chemical Formula	C₂₅H₄₃N₂O₂₆P₃
Molecular Mass	880.1317
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C(O)COC4OC(C(O)CO)C(OP(=O)(O)O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C=CC1
InChI Key	XWPXIQMRJCVVGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinamide nucleotides
Direct Parent	nicotinamide nucleotides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines hexose phosphates hydrocarbon derivatives monoalkyl phosphates monosaccharides n-substituted nicotinamides organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary carboxylic acid amides secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group pentose phosphate nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide carboxylic acid derivative saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound dihydropyridine oxane primary alcohol organoheterocyclic compound alcohol vinylogous amide azacycle tetrahydrofuran carboxamide group organic pyrophosphate n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hexose phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound enamine

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