9,12-OCTADECADIENOYL COA, [OCTADECADIENOIC ACID-1-14C]-

CAS号
CCD编号
CCD00606621
分子式
C39 H66 N7 O17 P3 S
分子量
1031.96

基本信息

产品名称: 9,12-OCTADECADIENOYL COA, [OCTADECADIENOIC ACID-1-14C]-
英文同义词: 9,12-OCTADECADIENOYL COA, [OCTADECADIENOIC ACID-1-14C]-
MDL号: MFCD07778789
氢键受体数量: 24
氢键供体数量: 9
Smile: CCCCC/C=C/C/C=C/CCCCCCC[14C](=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/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8+,12-11+/t28-,32-,33-,34+,38-/m1/s1/i30+2
InChiKey: InChIKey=YECLLIMZHNYFCK-IUBQSVNSSA-N

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