3-Oxopalmitoyl-CoA

Base Information

Chemical Name:3-Oxopalmitoyl-CoA
CAS No.:34619-89-1
Molecular Formula:C37H64 N7 O18 P3 S
Molecular Weight:1019.94
Hs Code.:
DSSTox Substance ID:DTXSID501297136
Nikkaji Number:J757.173I
Wikidata:Q27089474
Metabolomics Workbench ID:50107

Synonyms:beta-ketohexadecanoyl-coenzyme A;beta-ketopalmitoyl-CoA;coenzyme A, beta-ketohexadecanoyl-

Suppliers and Price of 3-Oxopalmitoyl-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

TRC
3-?Ketopalmitoyl-?CoA
1mg
$ 1635.00

Total 10 raw suppliers

Chemical Property of 3-Oxopalmitoyl-CoA

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：435.43000
Density:1.57g/cm³
LogP:4.68800
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Methanol (Slightly, Heated), Water (Slightly)
XLogP3:0.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:34
Exact Mass:1019.32414038
Heavy Atom Count:66
Complexity:1700

Purity/Quality:

99% ^*data from raw suppliers

3-?Ketopalmitoyl-?CoA ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCC(=O)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:CCCCCCCCCCCCCC(=O)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
Uses 3-?Ketopalmitoyl-?CoA is an important substrate for 17β-?hydroxysteroid dehydrogenase which is very important in steroid metabolism, including the conversion of androstendione to testosterone.

Technology Process of 3-Oxopalmitoyl-CoA

There total 5 articles about 3-Oxopalmitoyl-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:

: C₂₁H₃₈O₆

: 34619-89-1
3-oxohexadecanoic acid coenzyme A thioester

Guidance literature:: Multi-step reaction with 3 steps

1: tetrabutyl-ammonium chloride; lithium hydroxide / tetrahydrofuran; water / 0.75 h / 0 - 20 °C / pH 8 - 9 / Inert atmosphere

2: hydrogenchloride; water / tetrahydrofuran / 1.5 h / 40 °C

3: water; lithium hydroxide / 0 °C / pH 6 - 7

With hydrogenchloride; tetrabutyl-ammonium chloride; water; lithium hydroxide; In tetrahydrofuran; water;
DOI:10.1055/s-0031-1291149

Reference yield:

: C₃₇H₆₆N₇O₁₉P₃S

: 34619-89-1
3-oxohexadecanoic acid coenzyme A thioester

Guidance literature:: With water; lithium hydroxide; at 0 ℃; pH=6 - 7;
DOI:10.1055/s-0031-1291149

Reference yield:

: 1400573-28-5
ethyl 2-(2-tridecyl-1,3-dioxolan-2-yl)acetate

: 34619-89-1
3-oxohexadecanoic acid coenzyme A thioester

Guidance literature:: Multi-step reaction with 4 steps

1.1: 4-methyl-morpholine / tetrahydrofuran / 0.25 h / -5 °C / Inert atmosphere

1.2: 1.5 h / -5 °C / Inert atmosphere

2.1: tetrabutyl-ammonium chloride; lithium hydroxide / tetrahydrofuran; water / 0.75 h / 0 - 20 °C / pH 8 - 9 / Inert atmosphere

3.1: hydrogenchloride; water / tetrahydrofuran / 1.5 h / 40 °C

4.1: water; lithium hydroxide / 0 °C / pH 6 - 7

With 4-methyl-morpholine; hydrogenchloride; tetrabutyl-ammonium chloride; water; lithium hydroxide; In tetrahydrofuran; water;
DOI:10.1055/s-0031-1291149