Basic Information |
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Product Name: | 06:0 COENZYME A AMMONIUM SALT |
CAS: | 799812-81-0 |
English Synonyms: | 06:0 COENZYME A AMMONIUM SALT ; HEXANOYL COENZYME A AMMONIUM SALT ; HEXANOYL COENZYME A (AMMONIUM SALT) |
MDL Number.: | MFCD22416618 |
H bond acceptor: | 24 |
H bond donor: | 9 |
Smile: | CCCCCC(=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.N.N.N |
InChi: | InChI=1S/C27H46N7O17P3S.3H3N/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34;;;/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42);3*1H3/t16-,20-,21-,22+,26-;;;/m1.../s1 |
InChiKey: | InChIKey=MXEFXWIYODKXEJ-GUOUMXCNSA-N |
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