2-METHYLACETOACETYL-COA

pro_cas
6712-01-2
pro_cdbregno
CCD04458162
pro_formula
C26 H42 N7 O18 P3 S
pro_molWeight
865.637

basic_info

Product_Name: 2-METHYLACETOACETYL-COA
CAS: 6712-01-2
EnglishSynonyms: 2-METHYLACETOACETYL-COA
pro_mdlNumber: MFCD18782038
pro_acceptors: 25
pro_donors: 9
pro_smile: CC(C(=O)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
InChi: InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13?,15-,18-,19-,20+,24-/m1/s1
InChiKey: InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-N

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