604-98-8 (Succinyl CoA,Coenzyme A, S-(hydrogen butanedioate))

CAS号:
604-98-8
中文名称:
Succinyl CoA
英文名称:
Coenzyme A, S-(hydrogen butanedioate)
分子式:
C25H40N7O19P3S
分子量:
867.606887817383

Succinyl CoA(604-98-8)名称与标识符

名称

英文别名:
S-(hydrogen succinyl)coenzyme A;Succinyl-coenzyme A;Coenzyme A, S-(hydrogen butanedioate);1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name);(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name);(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethy; Succinyl coenzyme A ; Succinyl CoA; S-Succinoylcoenzyme A; Coenzyme A, S-succinate (6CI,7CI);Coenzyme A, S-(hydrogen succinate) (8CI);suc-co-A;S-(hydrogen butanedioate) Coenzyme A;S-(hydrogen butanedioic acid;CoA S-succinate;CoA S-(hydrogen succinate);Coenzyme A S-(hydrogen succinate);succinylcoenzyme-A;C25-H40-N7-O19-P3-S;succinyl-S-coenzyme-A;J-002127;succinyl-CoA;UNII-BSI27HW5EQ;S-(3-carboxypropionyl)-coenzyme-A;succinyl-S-Coenzyme A;succ-CoA;succ-S-Coenzyme A;succinyl-CoA; (Acyl-CoA); [M+H]+;;DTXSID40975809;C25H40N7O19P3S;3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate};Coenzyme A S-succinate;Coenzyme A, S-(hydrogen succinate);S-(hydrogen succinyl)-CoA;S-Succinoylcoenzyme A;succ-coenzyme-A;succinyl-S-CoA;suc-coa;DB03699;CHEBI:15380;BSI27HW5EQ;EINECS 210-079-5;S-(3-carboxy-propionyl)-CoA;604-98-8;succ-S-CoA;succino-1-yl-coenzyme a;C00091;Succinyl CoA;Q419560;succ-S-coenzyme-A;Succinyl coenzyme A;S-(hydrogen butanedioate;Coenzyme A, S-succinate;S-(hydrogen butanedioate) CoA;S-(3-Carboxy-propionyl)-coenzym-A;Succinyl coenzyme A sodium salt;LMFA07050370;succ-Coenzyme A;SCHEMBL50744;Coenzyme A, S-succinate (6CI,7CI);CVD-0019452;BDBM627979;NS00070440;(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name);coenzyme A, succinyl-;4-[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]ethylsulfanyl]-4-oxobutanoic acid;S-(3-carboxy-propionyl)-CoA(5-);S-(hydrogen succinyl)CoA(5-);succinyl-coenzyme A(5-);succinyl-CoA pentaanion;

标识符

InChIKey:
VNOYUJKHFWYWIR-ITIYDSSPSA-N
Inchi:
1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1
SMILES:
S(C(CCC(=O)O)=O)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

Succinyl CoA(604-98-8)物化性质

实验特性

  • LogP : -0.10750
  • PSA : 455.66000
  • 折射率 : 1.719
  • 密度 : 1.91

计算特性

  • 精确分子量 : 867.131252
  • 氢键供体数量 : 10
  • 氢键受体数量 : 20
  • 可旋转化学键数量 : 23
  • 同位素质量 : 867.131252
  • 重原子数量 : 55
  • 复杂度 : 1510
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 5
  • 确定化学键立构中心数量 : 0
  • 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) : _6.2
  • 拓扑分子极性表面积 : 426

Succinyl CoA(604-98-8)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
询单
湖北扬信医药科技有限公司 18071854684
0714-3999001
程舒畅 2885409691
询单
上海赛可锐生物科技有限公司 13003271654
021-58000709
赛可锐生物 3004122151
询单

Succinyl CoA(604-98-8)合成路线

合成路线:1 步
反应条件:
参考文献:
6-Deoxyerythronolide B Analogue Production in Escherichia coli through Metabolic Pathway Engineering
By Kennedy, Jonathan et al, Biochemistry, 2003, 42(48), 14342-14348
合成路线:1 步
反应条件:
参考文献:
Drosophila melanogaster nonribosomal peptide synthetase Ebony encodes an atypical condensation domain
By IzorA, Thierry et al, Proceedings of the National Academy of Sciences of the United States of America, 2019, 116(8), 2913-2918
合成路线:1 步
反应条件:
参考文献:
Elucidating the stereochemistry of enzymatic benzylsuccinate synthesis with chirally labeled toluene
By Seyhan, Deniz et al, Angewandte Chemie, 2016, 55(38), 11664-11667
合成路线:1 步
反应条件:
参考文献:
Identification of 3-sulfinopropionyl coenzyme A (CoA) desulfinases within the acyl-CoA dehydrogenase superfamily
By Schuermann, Marc et al, Journal of Bacteriology, 2014, 882-893, 13 pp.
合成路线:1 步
反应条件:
参考文献:
A new method of specific acylation of thiols. Application to coenzyme A
By Le Goffic, F. et al, Tetrahedron Letters, 1976, (33), 2845-7

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