Nicotinic acid mononucleotide

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Systematic / IUPAC Name: 3-Carboxy-1-(5-O-phosphonopentofuranosyl)pyridinium

ID: Reference913

Other Names: Nicotinic acid mononucleotide;
Nicotinate mononucleotide;
3-Carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium;
Nicotinate D-ribonucleotide;
β-Nicotinate D-ribonucleotide

Formula: C11H15NO9P+

Class: Endogenous Metabolites

Spectral Data

Nicotinic acid 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 114
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/27/2015 9:06:18 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1
InChI Key JOUIQRNQJGXQDC-ZYUZMQFOSA-O
Canonical SMILES O=P(O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O
CAS 321028
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Other Names Nicotinic acid mononucleotide;
Nicotinate mononucleotide;
3-Carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium;
Nicotinate D-ribonucleotide;
β-Nicotinate D-ribonucleotide;
Pyridinium, 3-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)-

In Other Databases

ChemSpider 108822
ChEBI CHEBI:15763
HMDb HMDB01132; HMDB59646
KEGG C01185
PubChem 121992
ChemIDPlus 000321028