β-Nicotinamide mononucleotide

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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

Spectral Data

β-Nicotinamide mononucleotide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

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
View Mass Spec Data > >

Identificators

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
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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

In Other Databases

PubChem 14180
ChemSpider 13553
ChEBI CHEBI:16171
KEGG C00455
HMDb HMDB00229
ChEMBL CHEMBL610238