crotonoyl-CoA

Base Information

Chemical Name:crotonoyl-CoA
CAS No.:38795-21-0
Molecular Formula:C₂₅H₄₀N₇O₁₇P₃S
Molecular Weight:835.617
Hs Code.:
European Community (EC) Number:213-595-9
UNII:Q959BSX9OA
Nikkaji Number:J1.040.164J,J833.202I
Wikipedia:Crotonyl-CoA
Wikidata:Q303169
Metabolomics Workbench ID:50091

Synonyms:coenzyme A, crotonyl-;crotonyl-CoA;crotonyl-coenzyme A

Suppliers and Price of crotonoyl-CoA

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of crotonoyl-CoA

Chemical Property:

XLogP3:-4.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:21
Exact Mass:835.14142500
Heavy Atom Count:53
Complexity:1460

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
Isomeric SMILES:C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Technology Process of crotonoyl-CoA

There total 8 articles about crotonoyl-CoA which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: (R)-S-(2-(3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (E)-but-2-enethioate

: 56-65-5,896506-78-8
ATP

: 992-67-6,6244-90-2,38795-21-0
Butenoyl-Coenzyme A

Guidance literature:: With CoaA, CoaD and CoaE enzymes were amplified from a colony of E_. coli BL₂₁(DE₃); In dimethyl sulfoxide; at 30 ℃; for 3h; pH=6.5 - 7.5; Enzymatic reaction;
DOI:10.1021/acs.orglett.5b02113

Reference yield:

: 1035845-75-0
(2R)-4-hydroxy[2-2H₁]butyryl-CoA

: (4-hydroxybutyryl)-coferment A

: 992-67-6,6244-90-2,38795-21-0
Butenoyl-Coenzyme A

Guidance literature:: With sodium hydroxide; 4-hydroxybutyryl-CoA dehydratase; at 37 ℃; for 0.333333h;
DOI:10.1002/anie.200705473

Reference yield:

: 167308-62-5
3-{[(4R)-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]carbonylamino}propionic acid

: 992-67-6,6244-90-2,38795-21-0
Butenoyl-Coenzyme A

Guidance literature:: Multi-step reaction with 3 steps

1: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 12 h

2: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 18 h

3: CoaA, CoaD and CoaE enzymes were amplified from a colony of E_. coli BL₂₁(DE₃) / dimethyl sulfoxide / 3 h / 30 °C / pH 6.5 - 7.5 / Enzymatic reaction

With CoaA, CoaD and CoaE enzymes were amplified from a colony of E_. coli BL₂₁(DE₃); benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; dimethyl sulfoxide;
DOI:10.1021/acs.orglett.5b02113