Coenzyme A,S-hexadecanoate supplier

Name
PALMITOYL COENZYME A POTASSIUM SALT
EINECS 217-177-7
CAS No. 1763-10-6
Article Data10
CAS DataBase
Density 1.54 g/cm³
Solubility
Melting Point
Formula C₃₇H₆₆N₇O₁₇P₃S
Boiling Point
Molecular Weight 1005.96
Flash Point
Transport Information
Appearance Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Coenzyme A,S-palmitate (7CI,8CI);Coenzyme A, palmitate (6CI);Hexadecanoyl-CoA;Hexadecanoyl-coenzymeA;Palmitoyl CoA;Palmitoyl coenzyme A;Palmityl coenzyme A;Palmityl-CoA;S-Palmityl coenzyme A;S-Palmityl-CoA;
PSA 421.19000
LogP 5.94720

Synthetic route

: 85-61-0
coenzyme A

: 112-67-4
n-hexadecanoyl chloride

: 1763-10-6
S-palmitoyl-coenzyme A

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water for 1.5h; pH=7 - 8;	45%

: 623-65-4
palmitic anhydride

: 85-61-0
coenzyme A

: 1763-10-6
S-palmitoyl-coenzyme A

Conditions

Conditions	Yield

: 85-61-0
coenzyme A

palmitate: palmitate

: 1763-10-6
S-palmitoyl-coenzyme A

Conditions

Conditions	Yield
With acyl-coa-synthetase; ATP

: 85-61-0
coenzyme A

potassium thio palmitate: potassium thio palmitate

: 1763-10-6
S-palmitoyl-coenzyme A

Conditions

Conditions	Yield

: 57-10-3
1-hexadecylcarboxylic acid

: 85-61-0
coenzyme A

: 1763-10-6
S-palmitoyl-coenzyme A

Conditions

Conditions	Yield
With adenylate kinase; pyruvate kinase; phosphoenolpyruvic acid; recombinant Luciola lateralis luciferase; ATP; NADH; magnesium chloride; lactate dehydrogenase at 27℃; pH=7; aq. potassium phosphate buffer; Enzymatic reaction;
With recombinant luciferase from Hotaria parvura, firefly; ATP aq. buffer; Enzymatic reaction;

: C21H33N7O16P3S(3-)*3Na(1+)

: 57-10-3
1-hexadecylcarboxylic acid

: 1763-10-6
S-palmitoyl-coenzyme A

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; potassium carbonate In tetrahydrofuran; water at 20℃;

: 628-97-7
hexadecanoic acid ethyl ester

: 1763-10-6
S-palmitoyl-coenzyme A

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: trimethylaluminum / dichloromethane / 1.5 h / 20 °C / Cooling with ice 1.2: 20 °C 2.1: L-serin; serine C-palmitoyl transferase / acetonitrile; aq. phosphate buffer / 24 h / 37 °C / pH 8 / Enzymatic reaction View Scheme

: 75839-74-6
phenyl thiopalmitate

CoA sodium salt: CoA sodium salt

: 1763-10-6
S-palmitoyl-coenzyme A

Conditions

Conditions	Yield
With L-serin; serine C-palmitoyl transferase In aq. phosphate buffer; acetonitrile at 37℃; for 24h; pH=8; Enzymatic reaction;

: 541-15-1
L-carnitine

: 1763-10-6
S-palmitoyl-coenzyme A

: 1935-18-8, 2364-66-1, 3766-08-3, 2364-67-2
L-Palmitoylcarnitine

Conditions

Conditions	Yield
With benzenesulfonamide; carnitine palmitoyltransferase 1; N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid In water at 37℃; pH=7.0; Enzyme kinetics; Further Variations:; Reagents; Acylation;

: 1763-10-6
S-palmitoyl-coenzyme A

: palmitoyl-3'-dephospho-CoA

Conditions

Conditions	Yield
With nuclease P1

: 1763-10-6
S-palmitoyl-coenzyme A

: [3H]-1-oleoyl-2-lyso-sn-glycero-3-phosphatidic acid

: C35H65(3)H2O8P

Conditions

Conditions	Yield
With recombinant mouse His12-CGI-58 fusion protein at 30℃; for 0.166667h; pH=7.5; aq. buffer; Enzymatic reaction;

: 524-14-1
S-(hydrogen malonyl)coenzyme A

: 1763-10-6
S-palmitoyl-coenzyme A

A: 3158-56-3
5-n-pentadecylresorcinol

B: 52189-70-5
2,4-dihydroxy-6-pentadecanylbenzoic acid

C: conrauanalactone

Conditions

Conditions	Yield
With alkylresorcylic acid synthase, ARAS1 at 30℃; for 0.333333h; pH=7; Kinetics; aq. phosphate buffer; Enzymatic reaction;

...Expand

: 2645-22-9
bis(4-pyridyl) disulfide

: 38170-37-5
N,N,N-trimethyl-N-(2-aminoethyl)ammonium

: 1763-10-6
S-palmitoyl-coenzyme A

A: 19829-29-9
4-pyridinethione

B: C21H45N2O(1+)

Conditions

Conditions	Yield
With N-terminally His10-tagged human choline acetyltransferase E337Y/C550A mutant at 25℃; for 0.5h; pH=7.5; aq. HEPES buffer; Enzymatic reaction;

...Expand

: 18198-76-0
Palmitoleoyl-Coenzyme A

: 1763-10-6
S-palmitoyl-coenzyme A

A: hentriaconta-7c,24c-dien-16-one

B: 556-40-1
hentriacont-7c-en-16-one

C: 373-49-9
cis-9-hexadecenoic acid

D: 57-10-3
1-hexadecylcarboxylic acid

Conditions

Conditions	Yield
With OleA from Xanthomonas campestris spv. campestris str. ATCC 33913 at 20℃; for 0.0833333h; pH=7.4; Claisen condensation; aq. buffer; Enzymatic reaction;

...Expand

: 1763-10-6
S-palmitoyl-coenzyme A

A: 502-73-8
palmitone

B: 57-10-3
1-hexadecylcarboxylic acid

Conditions

Conditions	Yield
With OleA from Xanthomonas campestris spv. campestris str. ATCC 33913 at 20℃; for 0.0833333h; pH=7.4; Claisen condensation; aq. buffer; Enzymatic reaction;

: 1763-10-6
S-palmitoyl-coenzyme A

: 1264-57-9
decanoyl coenzyme A

A: 334-48-5
1-decanoic acid

B: 504-57-4
10-Nonadecanon

C: 502-73-8
palmitone

D: 31469-37-1
Nonyl-pentadecyl-keton

E: 57-10-3
1-hexadecylcarboxylic acid

Conditions

Conditions	Yield
With OleA from Xanthomonas campestris spv. campestris str. ATCC 33913 at 20℃; for 0.0833333h; pH=7.4; Claisen condensation; aq. buffer; Enzymatic reaction;

...Expand

: 1763-10-6
S-palmitoyl-coenzyme A

: lauroyl coenzyme A

A: 143-07-7
lauric acid

B: 540-09-0
laurone

C: 502-73-8
palmitone

D: 31534-85-7
Undecyl-pentadecyl-keton

E: 57-10-3
1-hexadecylcarboxylic acid

Conditions

Conditions	Yield
With OleA from Xanthomonas campestris spv. campestris str. ATCC 33913 at 20℃; for 0.0833333h; pH=7.4; Claisen condensation; aq. buffer; Enzymatic reaction;

...Expand

: 1763-10-6
S-palmitoyl-coenzyme A

: myristoyl-coenzyme A

A: 542-50-7
heptacosan-14-one

B: 34394-11-1
nonacosan-14-one

C: 502-73-8
palmitone

D: 544-63-8
n-tetradecanoic acid

E: 57-10-3
1-hexadecylcarboxylic acid

Conditions

Conditions	Yield
With OleA from Xanthomonas campestris spv. campestris str. ATCC 33913 at 20℃; for 0.0833333h; pH=7.4; Claisen condensation; aq. buffer; Enzymatic reaction;

...Expand

: 524-14-1
S-(hydrogen malonyl)coenzyme A

: 1763-10-6
S-palmitoyl-coenzyme A

: conrauanalactone

Conditions

Conditions	Yield
With Botrytis cinerea type III polyketide synthase Kinetics; Enzymatic reaction;

: 524-14-1
S-(hydrogen malonyl)coenzyme A

: 1763-10-6
S-palmitoyl-coenzyme A

: 889131-95-7
C22H36O4

Conditions

Conditions	Yield
With Botrytis cinerea type III polyketide synthase Kinetics; Enzymatic reaction;

: 524-14-1
S-(hydrogen malonyl)coenzyme A

: 1763-10-6
S-palmitoyl-coenzyme A

: C23H40O3

Conditions

Conditions	Yield
With Botrytis cinerea type III polyketide synthase Kinetics; Enzymatic reaction;

: 524-14-1
S-(hydrogen malonyl)coenzyme A

: 1763-10-6
S-palmitoyl-coenzyme A

A: 1159918-23-6
6-(2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl)-4-hydroxy-2-pyrone

B: conrauanalactone

Conditions

Conditions	Yield
With type III polyketide synthase Enzymatic reaction;

...Expand

: 524-14-1
S-(hydrogen malonyl)coenzyme A

: 1763-10-6
S-palmitoyl-coenzyme A

A: 889131-95-7
C22H36O4

B: 1159918-23-6
6-(2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl)-4-hydroxy-2-pyrone

Conditions

Conditions	Yield
With type III polyketide synthase Enzymatic reaction;

...Expand

: 1763-10-6
S-palmitoyl-coenzyme A

: 75878-93-2
palmit-2,3-enoyl-CoA

Conditions

Conditions	Yield
Stage #1: S-palmitoyl-coenzyme A With Micrococcus luteus acyl-coenzyme A oxidase; coenzyme A; flavin adenine dinucleotide at 30℃; for 3h; Enzymatic reaction; Stage #2: at 30℃; for 0.5h; Enzymatic reaction;

: 1763-10-6
S-palmitoyl-coenzyme A

: 85-61-0
coenzyme A

Conditions

Conditions	Yield
With L-serin In aq. buffer at 25℃; pH=8; Kinetics; Reagent/catalyst; Enzymatic reaction;

: [14C(U)]-snglycerol-3-phosphate

: 1763-10-6
S-palmitoyl-coenzyme A

: C16(14)C3H39O7P

Conditions

Conditions	Yield
With ethylenediaminetetraacetic acid; DL-dithiothreitol; bovie serum albumin; Erysimum asperum sn-glycerol-3-phosphate acyltransferase In aq. buffer for 0.166667h; pH=7; Concentration; Enzymatic reaction;

: 1763-10-6
S-palmitoyl-coenzyme A

: teicoplanin pseudoaglycone

: C94H109Cl2N9O33

Conditions

Conditions	Yield
With N-acyltransferase Orf11 In aq. buffer at 25℃; for 6h; pH=9; Enzymatic reaction;

: 524-14-1
S-(hydrogen malonyl)coenzyme A

: 1264-45-5, 10251-08-8, 73173-91-8, 73173-92-9
(2RS)-methylmalonyl-CoA

: 1763-10-6
S-palmitoyl-coenzyme A

A: C24H40O4

B: C24H40O4

C: C23H40O2

Conditions

Conditions	Yield
With recombinant Rhodospirillum polyketide synthase In aq. phosphate buffer at 30℃; for 1h; pH=8; Enzymatic reaction;

...Expand

Coenzyme A,S-hexadecanoate Specification

The Coenzyme A,S-hexadecanoate, with the CAS registry number 1763-10-6, is also known as S-Palmitoylcoenzyme A. Its EINECS registry number is 217-177-7. This chemical's molecular formula is C₃₇H₆₆N₇O₁₇P₃S and molecular weight is 1044.03. Its IUPAC name is called 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] hexadecanethioate.

Physical properties of Coenzyme A,S-hexadecanoate: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -2.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 24; (10)#H bond donors: 10; (11)#Freely Rotating Bonds: 36; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 232.1 cm³; (14)Molar Volume: 649.3 cm³; (15)Surface Tension: 70.4 dyne/cm; (16)Density: 1.54 g/cm³.

You can still convert the following datas into molecular structure:
(1)Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
(2)InChI: InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32?,36-/m1/s1
(3)InChIKey: MNBKLUUYKPBKDU-TZIIWEFPSA-N

Product Name

PALMITOYL COENZYME A POTASSIUM SALT

Synthetic route

Coenzyme A,S-hexadecanoate Specification

Related Products

Hot Products