150883-39-9 ((Coenzyme A, S-(11Z)-11-tetradecenoate)

CAS号:
150883-39-9
英文名称:
Coenzyme A, S-(11Z)-11-tetradecenoate
分子式:
C35H60N7O21P3S
分子量:
1039.87149143219

Coenzyme A, S-(11Z)-11-tetradecenoate(150883-39-9)名称与标识符

名称

英文别名:
Coenzyme A,S-11-tetradecenoate, (Z)- (9CI);11Z-tetradecenoyl-CoA;S-[2-[3-[[(2R)-4-[[[(2R,3R,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)-tetradec-11-enethioate;Coenzyme A, S-11-tetradecenoate, (Z)-;Coenzyme A, S-(11Z)-11-tetradecenoate;

标识符

InChIKey:
PDVRNPGCFUJDKP-OEQHHJRLSA-N
Inchi:
1S/C35H60N7O21P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)67-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-65(51,52)62-60-63-66(53,54)61-59-55-20-24-29(58-64(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h5-6,22-24,28-30,34,45-46H,4,7-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b6-5-/t24-,28?,29+,30+,34-/m1/s1
SMILES:
C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(OOOP(O)(OOOC[C@@H]1[C@H](OP(O)(O)=O)C(O)[C@H](N2C3=C(N=C2)C(N)=NC=N3)O1)=O)=O)(=O)CCCCCCCCC/C=C\CC

Coenzyme A, S-(11Z)-11-tetradecenoate(150883-39-9)物化性质

实验特性

  • PSA : 363.63
  • 酸度系数(pKa) : 1.16±0.50(Predicted)
  • 密度 : 1.58±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 975.2983