CAS 6244-99-1 MFCD N/A-2-Butynoyl-coenzyme A -LabNovo

SMILES: CC#CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

Chemical Name	2-Butynoyl-coenzyme A
Chemicalbook ID	CB81386448
InChIKey	JVJMBGZQTGXPSX-CITAKDKDSA-N
PubChem Substance ID	165437
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-/m1/s1
Synonym	2-butynoyl-CoA 2-butynoyl-coenzyme A coenzyme A, butynoyl-

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