Systematic / IUPAC Name: 3-Carbamoyl-1-(5-O-phosphonopentofuranosyl)pyridinium
ID: Reference871
Other Names:
Nicotinamide ribonucleotide;
Nicotinamide D-ribonucleotide;
β-Nicotinamide D-ribonucleotide;
3-(Aminocarbonyl)-1-(5-O-phosphonato-β-D-ribofuranosyl)pyridinium;
3-Carbamoyl-1-[5-O-(hydroxyphosphinato)-β-D-ribofuranosyl]pyridinium
Formula: C11H16N2O8P+
Class: Endogenous Metabolites
β-Nicotinamide mononucleotide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite |
No. of Spectral Trees | 1 |
No. of Spectra | 74 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 3/20/2015 8:48:53 AM |
InChI | InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1 |
InChI Key | DAYLJWODMCOQEW-TURQNECASA-N |
Canonical SMILES | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N |
CAS | 1094617 |
Splash | |
Other Names |
Nicotinamide ribonucleotide; Nicotinamide D-ribonucleotide; β-Nicotinamide D-ribonucleotide; 3-(Aminocarbonyl)-1-(5-O-phosphonato-β-D-ribofuranosyl)pyridinium; 3-Carbamoyl-1-[5-O-(hydroxyphosphinato)-β-D-ribofuranosyl]pyridinium; β-Nicotinamide ribonucleotide |
PubChem | 14180 |
ChemSpider | 13553 |
ChEBI | CHEBI:16171 |
KEGG | C00455 |
HMDb | HMDB00229 |
ChEMBL | CHEMBL610238 |