Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, ion(1-)
CAS Registry Number®
76961-04-1
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CAS Name
Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, ion(1-)Molecular Formula
C21H26N7O14P2Cite this Page
Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, ion(1-). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=76961-04-1 (retrieved ) (CAS RN: 76961-04-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p-1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey
InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-M
SMILES
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]=5C=C(C(N)=O)C=CC5)(=O)[O-])(=O)[O-])[C@H]1O
Canonical SMILES
O=C(N)C1=CC=C[N+](=C1)C2OC(COP(=O)([O-])OP(=O)([O-])OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3O)C(O)C2O
Other Names for this Substance
- Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, ion(1-)
