产品名称：
cis-3-octenoyl-CoA
其他名称： cis-3-octenoyl-CoA；(3Z)-octenoyl-CoA；cis-oct-3-enoyl-CoA；(Z)-oct-3-enoyl-CoA；cis-3-octenoyl-coenzyme A；(3Z)-octenoyl-coenzyme A；cis-oct-3-enoyl-coenzyme A；(Z)-oct-3-enoyl-coenzyme A；CHEBI:85939；Q27158803；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3Z)-oct-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
其他名称： cis-3-octenoyl-CoA；(3Z)-octenoyl-CoA；cis-oct-3-enoyl-CoA；(Z)-oct-3-enoyl-CoA；cis-3-octenoyl-coenzyme A；(3Z)-octenoyl-coenzyme A；cis-oct-3-enoyl-coenzyme A；(Z)-oct-3-enoyl-coenzyme A；CHEBI:85939；Q27158803；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3Z)-oct-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
结构信息
| 分子式 | C29H48N7O17P3S | 分子量 | 891.7 | ||
| IUPAC Name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-oct-3-enethioate | ||||
| InChIKey | CSCVMTFVEARIET-IJKSGAABSA-N | ||||
| InChI | InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h7-8,16-18,22-24,28,39-40H,4-6,9-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b8-7-/t18-,22-,23-,24+,28-/m1/s1 | ||||
| SMILES | CCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | ||||
