DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:36:52 UTC
Update Date	2025-03-21 17:57:29 UTC
HMDB ID	HMDB0001179
Metabolite Identification
DeepMet ID	DMID00008145
Name	Nicotinic acid adenine dinucleotide
Frequency	605.9
Structure
Chemical Formula	C₂₁H₂₇N₆O₁₅P₂+
Molecular Mass	665.1004
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C(=O)O)c3)C(O)C2O)C(O)C1O
InChI Key	SENPVEZBRZQVST-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinic acid nucleotides
Direct Parent	nicotinic acid nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyridine-3-carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid amino acid or derivatives pyridine-3-carboxylic acid purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate pyridine monoalkyl phosphate pyridine carboxylic acid hydrocarbon derivative primary amine amine pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine nicotinic-acid-nucleotide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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