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[3,4-(13)C2]-2-BUTYNOYL-COA
SpectraBase Compound ID 5P2vmIUtYx0
InChI InChI=1S/C25H38N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20-,24-/m0/s1/i1+1,4+1
InChIKey JVJMBGZQTGXPSX-ZIJSSYANSA-N
Mol Weight 835.6 g/mol
Molecular Formula C2313C2H38N7O17P3S
Exact Mass 835.132485 g/mol
Enantiomer InChIKey JVJMBGZQTGXPSX-KJESVNNZSA-N
Unknown Identification

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