DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:13 UTC
Update Date	2025-03-25 00:48:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167557
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₁N₃O₁₆P₂
Molecular Mass	619.118
SMILES	CC(=O)NC1C(OP(=O)(O)OCC2OC(N3C=CCC(C(N)=O)=C3)C(OP(=O)(O)O)C2O)OC(CO)C(O)C1O
InChI Key	DETMNPVPSJJFCT-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	acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates dihydropyridines enamines hydrocarbon derivatives monoalkyl phosphates monosaccharides n-acyl-alpha-hexosamines n-substituted nicotinamides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group pentose phosphate nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide carboxylic acid derivative n-acyl-alpha-hexosamine saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound dihydropyridine oxane primary alcohol organoheterocyclic compound acetamide alcohol vinylogous amide azacycle tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle secondary carboxylic acid amide dialkyl phosphate 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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