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Lactoyl-CoA BODIPY-NO2 白叶藤碱 Lyso-NI-Se 新白叶藤碱 壳寡糖 5-HTP
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  3. 604-98-8
名称和标识符 别名信息 物化性质 合成路线 相关文献 专业数据库参考 化合物详情（旧版）

604-98-8

（Succinyl CoA,Coenzyme A, S-(hydrogen butanedioate)）
Succinyl CoA结构式图片|604-98-8结构式图片
Succinyl CoA
Coenzyme A, S-(hydrogen butanedioate)
604-98-8
C25H40N7O19P3S
867.607000000001
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：Succinyl CoA结构式
Succinyl CoAMOL
92133
快速询单

名称和标识符

InChIKeyVNOYUJKHFWYWIR-ITIYDSSPSA-N
InchiInChI=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
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O

别名信息

- 中文别名 -

- 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
  • suc-co-A
  • suc-co-A
  • S-(hydrogen butanedioate) Coenzyme A
  • S-(hydrogen butanedioate) Coenzyme A
  • S-(hydrogen butanedioate) Coenzyme A
  • S-(hydrogen butanedioic acid
  • S-(hydrogen butanedioic acid
  • S-(hydrogen butanedioic acid
  • CoA S-succinate
  • CoA S-succinate
  • CoA S-succinate
  • CoA S-(hydrogen succinate)
  • CoA S-(hydrogen succinate)
  • CoA S-(hydrogen succinate)
  • Coenzyme A S-(hydrogen succinate)
  • Coenzyme A S-(hydrogen succinate)
  • Coenzyme A S-(hydrogen succinate)
  • succinylcoenzyme-A
  • succinylcoenzyme-A
  • succinylcoenzyme-A
  • C25-H40-N7-O19-P3-S
  • C25-H40-N7-O19-P3-S
  • succinyl-S-coenzyme-A
  • succinyl-S-coenzyme-A
  • C25-H40-N7-O19-P3-S
  • J-002127
  • J-002127
  • succinyl-S-coenzyme-A
  • succinyl-CoA
  • succinyl-CoA
  • J-002127
  • UNII-BSI27HW5EQ
  • UNII-BSI27HW5EQ
  • succinyl-CoA
  • S-(3-carboxypropionyl)-coenzyme-A
  • S-(3-carboxypropionyl)-coenzyme-A
  • UNII-BSI27HW5EQ
  • succinyl-S-Coenzyme A
  • succinyl-S-Coenzyme A
  • succ-CoA
  • S-(3-carboxypropionyl)-coenzyme-A
  • succ-CoA
  • succ-S-Coenzyme A
  • succinyl-S-Coenzyme A
  • succ-S-Coenzyme A
  • succinyl-CoA
  • (Acyl-CoA)
  • [M+H]+
  • succ-CoA
  • succinyl-CoA
  • (Acyl-CoA)
  • [M+H]+
  • succ-S-Coenzyme A
  • DTXSID40975809
  • DTXSID40975809
  • succinyl-CoA
  • (Acyl-CoA)
  • [M+H]+
  • C25H40N7O19P3S
  • C25H40N7O19P3S
  • DTXSID40975809
  • 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}
  • 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}
  • C25H40N7O19P3S
  • Coenzyme A S-succinate
  • Coenzyme A S-succinate
  • Coenzyme A, S-(hydrogen succinate)
  • 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-(hydrogen succinate)
  • S-(hydrogen succinyl)-CoA
  • Coenzyme A S-succinate
  • S-(hydrogen succinyl)-CoA
  • S-Succinoylcoenzyme A
  • Coenzyme A, S-(hydrogen succinate)
  • S-Succinoylcoenzyme A
  • succ-coenzyme-A
  • S-(hydrogen succinyl)-CoA
  • succ-coenzyme-A
  • succinyl-S-CoA
  • succinyl-S-CoA
  • S-Succinoylcoenzyme A
  • suc-coa
  • suc-coa
  • succ-coenzyme-A
  • S-(Hydrogen succinyl)coenzyme A
  • S-(Hydrogen succinyl)coenzyme A
  • succinyl-S-CoA
  • DB03699
  • DB03699
  • suc-coa
  • CHEBI:15380
  • CHEBI:15380
  • S-(Hydrogen succinyl)coenzyme A
  • BSI27HW5EQ
  • BSI27HW5EQ
  • DB03699
  • EINECS 210-079-5
  • EINECS 210-079-5
  • CHEBI:15380
  • S-(3-carboxy-propionyl)-CoA
  • S-(3-carboxy-propionyl)-CoA
  • 604-98-8
  • 604-98-8
  • succ-S-CoA
  • BSI27HW5EQ
  • succ-S-CoA
  • succino-1-yl-coenzyme a
  • succino-1-yl-coenzyme a
  • EINECS 210-079-5
  • C00091
  • C00091
  • Succinyl CoA
  • S-(3-carboxy-propionyl)-CoA
  • Succinyl CoA
  • Q419560
  • Q419560
  • succ-S-coenzyme-A
  • 604-98-8
  • succ-S-coenzyme-A
  • Succinyl coenzyme A
  • Succinyl coenzyme A
  • succ-S-CoA
  • S-(hydrogen butanedioate
  • S-(hydrogen butanedioate
  • Coenzyme A, S-succinate
  • Coenzyme A, S-succinate
  • succino-1-yl-coenzyme a
  • S-(hydrogen butanedioate) CoA
  • S-(hydrogen butanedioate) CoA
  • S-(3-Carboxy-propionyl)-coenzym-A
  • C00091
  • S-(3-Carboxy-propionyl)-coenzym-A
  • Succinyl coenzyme A sodium salt
  • Succinyl coenzyme A sodium salt
  • LMFA07050370
  • Succinyl CoA
  • LMFA07050370
  • succ-Coenzyme A
  • succ-Coenzyme A
  • Q419560
  • SCHEMBL50744
  • SCHEMBL50744
  • 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
  • Succinyl-CoA
  • S-(3-carboxy-propionyl)-CoA(5-)
  • S-(hydrogen succinyl)CoA(5-)
  • succinyl-coenzyme A(5-)
  • Succinyl-Coenzyme A
  • SUCCINYL-COENZYME A
  • succinyl-CoA pentaanion

物化性质

实验特性

LogP-0.10750
PSA455.66000
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

合成路线

合成路线：1 步
85-61-0
108-30-5
92%
604-98-8
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
合成路线：1 步
110-15-6
85-61-0
35%
604-98-8
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
108-30-5
85-61-0
604-98-8
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
156-54-7
604-98-8
2140-48-9
1264-45-5
72-89-9
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
108-30-5
18439-24-2
604-98-8
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.

相关文献

专业数据库参考

PubChemId92133

化合物详情（旧版）

物理化学性质

密度：1.91g/cm3
折射率：1.719

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苏ICP备10005166号-5 法律声明
公安机关备案号32010502010001