3-Hydroxybutyryl-coenzyme A

Base Information

Chemical Name:3-Hydroxybutyryl-coenzyme A
CAS No.:2871-66-1
Molecular Formula:C₂₅H₄₂N₇O₁₈P₃S
Molecular Weight:853.632
Hs Code.:
DSSTox Substance ID:DTXSID90951355
Nikkaji Number:J1.124.221I
Wikipedia:Beta-Hydroxybutyryl-CoA
Wikidata:Q2815990
Metabolomics Workbench ID:52181
Mol file:2871-66-1.mol

Synonyms:3-hydroxybutyryl-CoA;3-hydroxybutyryl-coenzyme A;3-hydroxybutyryl-coenzyme A, (R)-isomer;3-hydroxybutyryl-coenzyme A, (S)-isomer;beta-hydroxybutyryl-CoA;beta-hydroxybutyryl-coenzyme A;coenzyme A, 3-hydroxybutyryl-

Suppliers and Price of 3-Hydroxybutyryl-coenzyme A

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 2 raw suppliers

Chemical Property of 3-Hydroxybutyryl-coenzyme A

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：497.51000
Density:1.87g/cm³
LogP:-1.69980
XLogP3:-5.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:22
Exact Mass:853.15198968
Heavy Atom Count:54
Complexity:1450

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

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)O
Isomeric SMILES:CC(CC(=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)O

Technology Process of 3-Hydroxybutyryl-coenzyme A

There total 8 articles about 3-Hydroxybutyryl-coenzyme A 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:

: 727388-72-9
3-hydroxybutyrate thiophenyl ester

: 2871-66-1,21804-29-5,22138-45-0
β-hydroxybutyryl CoA

Guidance literature:: With coenzyme A sodium salt; In aq. phosphate buffer; acetonitrile; at 20 ℃; for 3h; pH=8;

Reference yield:

: 1420-36-6
acetoacetyl coenzyme A

: 2871-66-1,21804-29-5,22138-45-0
β-hydroxybutyryl CoA

Guidance literature:: With β-hydroxybutyryl CoA dehydrogenase from Clostridium acetobutylicum ATCC 824; In aq. buffer; at 50 ℃; Kinetics; Enzymatic reaction;
DOI:10.1016/j.molcatb.2013.10.014

Reference yield:

: C₁₅H₂₈N₂O₆S

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

: 2871-66-1,21804-29-5,22138-45-0
β-hydroxybutyryl CoA

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