18198-76-0 (Palmitoleoyl-CoA,Coenzyme A, S-(9Z)-9-hexadecenoate)

CAS号:
18198-76-0
中文名称:
Palmitoleoyl-CoA
英文名称:
Coenzyme A, S-(9Z)-9-hexadecenoate
分子式:
C37H64N7O17P3S
分子量:
1003.92705154419

Palmitoleoyl-CoA(18198-76-0)名称与标识符

名称

英文别名:
Coenzyme A,S-(9Z)-9-hexadecenoate;(C16:1) COENZYME A;Palmitoleoyl coenzyme A lithium salt;S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-hexadec-9-enethioate; cis-9-Hexadecenoyl-coenzyme A; Palmitoleyl-CoA; Palmitoleyl coenzyme A; Palmitoleoyl-CoA; Palmitoleoyl coenzyme A; 9- Hexadecenoic acid, thio-, S-ester with coenzyme A, (Z)- (8CI); Coenzyme A, S-palmitoleate (6CI); Coenzyme A, S-cis-9-hexadecenoate (7CI);Coenzyme A, S-9-hexadecenoate, (Z)- (8CI);Coenzyme A, S-(9Z)-9-hexadecenoate;(Z)-9-hexadecenoyl-CoA;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)-hexadec-9-enethioate;S-(9Z)-9-hexadecenoate CoA;CS-0141903;cis-9-Hexadecenoyl Coenzyme-?A; (Acyl-CoA); [M+H]+;;palmitoleyl coenzyme A;palmitoleyl-coenzyme A;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-hexadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate};(Z)-S-9-hexadecenoate;S-(9Z)-9-hexadecenoate Coenzyme A;9z-hexadecenoyl-CoA;(Z)-S-9-hexadecenoate CoA;S-cis-9-hexadecenoate Coenzyme A;HY-137782;(Z)-thio-9-Hexadecenoic acid S-ester with coenzyme A;(9Z)-hexadec-9-enoyl-CoA;(Z)-thio-9-Hexadecenoic acid;S-(9Z)-9-hexadecenoate;(Z)-thio-9-Hexadecenoate;S-palmitoleate CoA;SCHEMBL27212;C21072;palmitoleoyl-coenzyme A;(Z)-S-9-hexadecenoate Coenzyme A;S-palmitoleate Coenzyme A;LMFA07050359;Q27123981;18198-76-0;Palmitoleoyl coenzyme A;S-cis-9-hexadecenoate CoA;(9Z)-hexadecenoyl-CoA;(Z)-S-9-hexadecenoic acid;palmitoleyl-CoA;Palmitoleoyl CoA;palmitoleoyl-CoA;cis-9-hexadecenoyl-coenzyme A;cis-9-hexadecenoyl-CoA;S-cis-9-hexadecenoic acid;S-cis-9-hexadecenoate;S-(9Z)-9-hexadecenoic acid;DTXSID801316783;CHEBI:53152;Coenzyme A, S-cis-9-hexadecenoate (7CI);Coenzyme A, S-palmitoleate (6CI);9-Hexadecenoic acid, thio-, S-ester with coenzyme A, (Z)- (8CI);QBYOCCWNZAOZTL-MDMKAECGSA-N;

标识符

MDL:
MFCD00079261
InChIKey:
QBYOCCWNZAOZTL-MDMKAECGSA-N
Inchi:
1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-/t26-,30-,31-,32+,36-/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(CCCCCCC/C=C\CCCCCC)=O

Palmitoleoyl-CoA(18198-76-0)物化性质

实验特性

  • 折射率 : 1.633
  • 密度 : 1.54

计算特性

  • 精确分子量 : 1003.32922577g/mol
  • 氢键供体数量 : 9
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 33
  • 同位素质量 : 1003.32922577g/mol
  • 重原子数量 : 65
  • 复杂度 : 1670
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.8
  • 拓扑分子极性表面积 : 389Ų

Palmitoleoyl-CoA(18198-76-0)安全信息

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