CAS No.1066-12-2 | Coenzyme A, S-(2E)-2-dodecenoate

Names and Identifiers

Coenzyme A,S-(2E)-2-dodecenoate
(2E)-Dodecenoyl-CoA
S-[2-[3-[[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] (E
S-[2-[3-[[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] do
S-[2-[3-[[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] (E)-dodec-2-enethioate

trans-Δ2,3-Dodecenoyl-CoA
trans-2- Dodecenoylcoenzyme A
Dodec-2-trans-enoyl-CoA
Coenzyme A, S-trans-2-dodecenoate (7CI)
Coenzyme A, S-2-dodecenoate, (E)- (8CI)
Coenzyme A, S-(2E)-2-dodecenoate
S-[2-[3-[[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] dodec-2-enethioate
S-[2-[3-[[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] dodec-2-enethioate
S-[2-[3-[[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] dodec-2-enethioate
S-[2-[3-[[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] dodec-2-enethioate
1066-12-2
1066-12-2
1066-12-2
1066-12-2
CTK4A4669
CTK4A4669
CTK4A4669
CTK4A4669
IRFYVBULXZMEDE-IIZVUBDFSA-N
IRFYVBULXZMEDE-IIZVUBDFSA-N
IRFYVBULXZMEDE-IIZVUBDFSA-N
IRFYVBULXZMEDE-IIZVUBDFSA-N
DTXSID90331456
DTXSID90331456
DTXSID90331456
DTXSID90331456
Coenzyme A, S-trans-2-dodecenoate (7CI)
Dodec-2-trans-enoyl-CoA
trans-2-Dodecenoylcoenzyme A
trans-Δ2,3-Dodecenoyl-CoA
2-trans-Dodecenoyl-Co A

展開

InChIKey：IRFYVBULXZMEDE-XCFIPPSPSA-N
Inchi：InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28?,32-/m1/s1
SMILES：CCCCCCCCC/C=C/C(SCCNC(CCNC(C(C(COP(OP(OC[C@H]1O[C@@H](N2C=NC3=C(N=CN=C23)N)[C@H](O)[C@@H]1OP(=O)(O)O)(O)=O)(O)=O)(C)C)O)=O)=O)=O

Chemical and Physical Properties

Computed Properties

精确分子量: 947.26698
氢键供体数量: 9
氢键受体数量: 22
可旋转化学键数量: 29
同位素质量: 947.267
重原子数量: 61
复杂度: 1600
同位素原子数量: 0
确定原子立构中心数量: 4
不确定原子立构中心数量: 1
确定化学键立构中心数量: 0
不确定化学键立构中心数量: 1
共价键单元数量: 1
疏水参数计算参考值（XlogP）: -0.6
拓扑分子极性表面积: 389Å²

Experimental Properties

LogP: 4.62340
PSA: 363.63

Synthetic Circuit

Synthetic Circuit 1

32466-54-9

85-61-0

1066-12-2

Reaction Conditions + 展開

1.1R:Et3N, S:CH2Cl2, 30 min, rt; rt → 4°C
1.2R:ClCO2Et, 2 h, 4°C
1.3R:KHCO3, S:H2O, S:DMF, 10 min, rt, pH 7.4
1.4R:HCO2H, pH 3-4

Reference

Biochemical and Structural Characterization of the trans-Enoyl-CoA Reductase from Treponema denticola

By Bond-Watts, Brooks B. et al, Biochemistry, 2012, 51(34), 6827-6837

Synthetic Circuit 2

76835-64-8

85-61-0

1066-12-2

Reaction Conditions + 展開

1.1
2.1R:Tris buffer, S:H2O, S:THF, pH 8.7
3.1R:Coenzyme II, reduced, R:C:331767-07-8, S:H2O, 25°C, pH 7

Reference

Rv3389C from Mycobacterium tuberculosis, a member of the (R)-specific hydratase/dehydratase family

By Sacco, Emmanuelle et al, Biochimica et Biophysica Acta, 2007, 1774(2), 303-311

Synthetic Circuit 3

32466-54-9

1066-12-2

Reaction Conditions + 展開

1.1

Reference

Structure of the Yersinia pestis FabV enoyl-ACP reductase and its interaction with two 2-pyridone inhibitors

By Hirschbeck, Maria W. et al, Structure (Oxford, 2012, 20(1), 89-100

Synthetic Circuit 4

32466-54-9

85-61-0

1066-12-2

Reaction Conditions + 展開

1.1R:Et3N, R:ClCO2Et, S:Et2O, overnight, rt
1.2R:Disodium carbonate, S:EtOH, S:AcOEt, rt

Reference

Roles of tyrosine 158 and lysine 165 in the catalytic mechanism of InhA, the enoyl-ACP reductase from Mycobacterium tuberculosis

By Parikh, Sapan et al, Biochemistry, 1999, 38(41), 13623-13634

Related Literature

1. Michael additions in polyketide biosynthesis Akimasa Miyanaga Nat. Prod. Rep. 2019 36 531

Related Products

Acetyl CoA CAS No.: 102029-73-2
Coenzyme A CAS No.: 85-61-0
Coenzyme A,S-(9Z)-9-octadecenoate, monolithium salt (9CI) CAS No.: 188824-37-5
Coenzyme A, S-(hydrogenbutanedioate), sodium salt (9CI) CAS No.: 108347-97-3
Coenzyme A, S-octanoate CAS No.: 1264-52-4
Coenzyme A,S-hexadecanoate CAS No.: 1763-10-6
Coenzyme A,S-(9Z)-9-octadecenoate CAS No.: 1716-06-9
Coenzyme A,S-tetradecanoate, lithium salt (9CI) CAS No.: 187100-75-0

Member Type:

Diamond Member

Gold Member

Premium Suppliers

(CAS:1066-12-2)Coenzyme A, S-(2E)-2-dodecenoate
Order Number:A1012320
Stock Status:in Stock/in Stock
Purity:99%/99%
Quantity: 5mg/25mg
Price ($):Inquiry/Inquiry
Pricing Information Last Updated: 29 August 2024
Product Introduction
Product Official Link
× CAS No.:1066-12-2 Molecular Formula:C33H56N7O17P3S Molecular Weight:947.820840000001 Synonyms:Coenzyme A,S-(2E)-2-dodecenoate;(2E)-Dodecenoyl-CoA;S-[2-[3-[[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] (E;S-[2-[3-[[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] do;S-[2-[3-[[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] (E)-dodec-2-enethioate;trans-Δ2,3-Dodecenoyl-CoA;trans-2-Dodecenoylcoenzyme A;Dodec-2-trans-enoyl-CoA;Coenzyme A, S-trans-2-dodecenoate (7CI);Coenzyme A, S-2-dodecenoate, (E)- (8CI);Coenzyme A, S-(2E)-2-dodecenoate;S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-Amino…
Amadis Chemical Company Limited
Contact & Address Information
网周路99号
Contact: Fred
Phone: 18658880036
Email : sales@amadischem.com
Web : https://www.amadischem.com/
Business Type:Manufacturers
2 Main Products
Gold Member
Audited Supplier
ZheJiang，China
Contact Now

Price Data Available

6 Priced Suppliers 9 products

SelectAll Renew

	Supplier:eNovation Chemicals LLC
No.	Purity	Stock	Specification	Price	update time	operate
Y1248550-5mg	86%		5mg	$265	07 Jun. 2024
Y1248550-25mg	86%		25mg	$880	17 May. 2023

	Supplier:梯希爱(上海)化成工业发展有限公司
No.	Purity	Stock	Specification	Price	update time	operate
D5661-25MG	>86.0%(HPLC)	上海:请联系我们/天津:请联系我们/日本:2	25mg	¥2990.00	18 Apr. 2024
D5661-5MG	>86.0%(HPLC)	上海:2/天津:/日本:7	5mg	¥790.00	18 Apr. 2024

Brand:麦克林		Supplier:上海麦克林生化科技有限公司
	No.	Purity	Stock	Specification	Price	update time	operate
	D918334-5mg	>86.0%(LC)	上海仓库：现货北方仓库：非现货	5mg	￥1,941.00	10 Jan. 2022

	Supplier:abcr
No.	Purity	Stock	Specification	Price	update time	operate
AB568240-25mg	86%		25mg	€827.00	20 Apr. 2024
AB568240-5mg	86%		5mg	€290.60	20 Apr. 2024

Brand:1pchem		Supplier:1PlusChem
	No.	Purity	Stock	Specification	Price	update time	operate
	1P0083XV-5mg	>86.0%(LC)	In Stock China	5mg	$260.00	26 Dec. 2023

Brand:aaron		Supplier:Aaron
	No.	Purity	Stock	Specification	Price	update time	operate
	AR008467-5mg		In China Stock	5mg	$329.00	16 Dec. 2023

The above data is all sourced from the internet. If privacy is violated, please contact us as soon as possible (leave a copy of your company email), and we will take it down for processing! Sorry for any inconvenience caused!

1066-12-2

Related Compounds

Basic Information

Suppliers

World Suppliers

Names and Identifiers

Chemical and Physical Properties

Computed Properties

Experimental Properties

Synthetic Circuit

Related Literature

Related Products