Basic Information |
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Product Name: | CIS-15-TETRACOSENOYL COENZYME A |
CAS: | 88362-35-0 |
English Synonyms: | NERVONOYL COENZYME A ; CIS-15-TETRACOSENOYL COENZYME A |
MDL Number.: | MFCD00079509 |
H bond acceptor: | 24 |
H bond donor: | 9 |
Smile: | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(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/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b12-11-/t34-,38-,39-,40?,44-/m1/s1 |
InChiKey: | InChIKey=QHZAQVTVYPHLKK-SQFVTABDSA-N |
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