| SpectraBase Spectrum ID |
Jez08XuAjyH |
| Name |
Nicatinamide D-ribonucleotide |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1094-61-7 |
| ChEBI ID |
16171 |
| Comments |
mM Nicotinamide D-ribonucleotide - Sigma N3626; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley. |
| Formula |
C11 H15 N2 O8 P |
| IUPAC Name |
1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolan-2-yl]pyridine-5-carboxamide; 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]tetrahydrofuran-2-yl]pyridine-5-carboxamide |
| 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 |
| InChIKey |
DAYLJWODMCOQEW-TURQNECASA-N |
| KEGG Compound ID |
C00153 |
| KEGG Pathways |
PATH: map00760 Nicotinate and nicotinamide metabolism |
| PubChem Compound ID |
14180 |
| SMILES |
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)N |
| Source File Reference |
bmse000260 |
