(E)-p-Coumaroyl-CoA-13C6 Sodium

Product Specifications

Synonyms

sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((((((R)-3-hydroxy-4-((3-((2-(((E)-3-(4-hydroxyphenyl-1,2,3,4,5,6-13C6)acryloyl)thio)ethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl phosphate

Hazard Statement

No Data Available

Smiles

O[C@H]1[C@H](N2C3=NC=NC(N)=C3N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(/C=C/[13C]4=[13C]([H])[13C]([H])=[13C]([13C]([H])=[13C]4[H])O)=O)=O)=O)O)C)(O[Na])=O)(O[Na])=O)[C@H]1OP(O[Na])(O[Na])=O

Molecular Formula

C24 13C6 H38 N7 Na4 O18 P3 S

Molecular Weight

1007.56

InChI

InChI=1S/C30H42N7O18P3S.4Na/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37;;;;/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46);;;;/q;4*+1/p-4/b8-5+;;;;/t19-,23-,24-,25+,29-;;;;/m1..../s1/i3+1,4+1,6+1,7+1,17+1,18+1;;;;

Additionnal Information

IUPAC name: Sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((((((R)-3-hydroxy-4-((3-((2-(((Z)-3-(4-hydroxyphenyl-1,2,3,4,5,6-13C6)acryloyl)thio)ethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl phosphate