DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:54:30 UTC
Update Date	2025-03-24 20:56:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01620306
Frequency	0.8
Structure
Chemical Formula	C₂₀H₃₁N₄O₂₅P₅
Molecular Mass	881.9965
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(OP(=O)(O)O)C3OP(=O)(O)O)C(O)C2O)C=CC1
InChI Key	BFWHZIWKGSQFHL-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 heteromonocyclic compounds
Alternative Parents	1,2-diols azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-substituted nicotinamides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides pyrimidones ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate pyrimidone nicotinamide-nucleotide carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound dihydropyridine organoheterocyclic compound 1,2-diol ribonucleoside 3'-phosphate alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound enamine

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