2-methylbutanoyl-CoA

Base Information

Chemical Name:2-methylbutanoyl-CoA
CAS No.:6712-02-3
Molecular Formula:C11H20N2O3S
Molecular Weight:260.3531
Hs Code.:
DSSTox Substance ID:DTXSID00745424
Nikkaji Number:J2.673.763J
Wikipedia:2-Methylbutyryl-CoA
Wikidata:Q27089462
Metabolomics Workbench ID:50095
Mol file:6712-02-3.mol

Synonyms:2-methylbutanoyl-CoA;2-methylbutyryl-coenzyme A;S-(2-methylbutanoyl)-CoA;2-methylbutanoyl-coenzyme A;2-methylbutyryl-CoA;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate};6712-02-3;2-Methylbutyryl CoA;S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 2-methylbutanethioate;starbld0038493;C01033;alpha-Methylbutyrylcoenzyme A;SCHEMBL120171;CHEBI:15477;DTXSID00745424;LYNVNYDEQMMNMZ-XGXNYEOVSA-N;LMFA07050190;Q27089462;S-[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]ethyl] 2-methylbutanethioate

Suppliers and Price of 2-methylbutanoyl-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 3 raw suppliers

Chemical Property of 2-methylbutanoyl-CoA

Chemical Property:

Refractive Index:1.693
PSA：107.55000
Density:1.8g/cm³
LogP:2.22520
XLogP3:-4.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:22
Exact Mass:851.17272513
Heavy Atom Count:54
Complexity:1450

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C(=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:CCC(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 2-methylbutanoyl-CoA

There total 11 articles about 2-methylbutanoyl-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:

: 116-53-0,600-07-7
2-Methylbutanoic acid

: 85-61-0
coenzyme A

: 6712-02-3
2-methylbutanoyl-CoA

Guidance literature:: With adenosine monophosphate ligase SfaB from Streptomyces thioluteus; ATP; magnesium chloride; Cleland's reagent; In aq. buffer; at 30 ℃; for 6h; pH=8; Enzymatic reaction;
DOI:10.1002/anie.202010042

Reference yield:

: 1-imidazol-1-yl-2-methyl-butan-1-one

: 85-61-0
coenzyme A

: 6712-02-3
2-methylbutanoyl-CoA

Guidance literature:: In tetrahydrofuran; water; at 20 ℃; for 4h;
DOI:10.1271/bbb.67.2106

Reference yield:

: 78548-87-5
2,3-dimethylacrylyl-CoA

: 6712-02-3
2-methylbutanoyl-CoA

Guidance literature:: With Caulobacter crescentus crotonyl-CoA carboxylase/reductase; sodium hydrogencarbonate; NADPH; at 20 ℃; for 3h; Reagent/catalyst; Enzymatic reaction;
DOI:10.1002/anie.201505282