149542-22-3 (2-Fluorooctanoyl-CoA,Coenzyme A, S-(2-fluorooctanoate) (9CI))

快速询单

结构式：

2-Fluorooctanoyl-CoAMOL文件

CAS号：

149542-22-3

中文名称：

2-Fluorooctanoyl-CoA

英文名称：

Coenzyme A, S-(2-fluorooctanoate) (9CI)

分子式：

C₂₉H₄₉FN₇O₁₇P₃S

分子量：

911.720752477646

2-Fluorooctanoyl-CoA(149542-22-3)名称与标识符

名称

英文别名：

Coenzyme A,S-(2-fluorooctanoate) (9CI);2-Fluorooctanoyl-coa;2-Fluorooctanoyl-coenzyme A;Coenzyme A, S-(2-fluorooctanoate);149542-22-3;9-{5-O-[{[(4-{[3-({2-[(2-Fluorooctanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine;C29H49FN7O17P3S;DTXSID30933670;C29-H49-F-N7-O17-P3-S;

标识符

InChIKey：

NLNZPKJACJFNFU-PMDCUQHOSA-N

Inchi：

1S/C29H49FN7O17P3S/c1-4-5-6-7-8-17(30)28(42)58-12-11-32-19(38)9-10-33-26(41)23(40)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-22(53-55(43,44)45)21(39)27(52-18)37-16-36-20-24(31)34-15-35-25(20)37/h15-18,21-23,27,39-40H,4-14H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t17?,18-,21-,22-,23+,27-/m1/s1

SMILES：

S(CCNC(CCNC([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)O)O)=O)=O)C(C(CCCCCC)F)=O