Conditions | Yield |
---|---|
With sodium hydroxide In tetrahydrofuran; water for 1.5h; pH=7 - 8; | 45% |
Conditions | Yield |
---|---|
Conditions | Yield |
---|---|
With acyl-coa-synthetase; ATP |
Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; potassium carbonate In tetrahydrofuran; water at 20℃; |
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 |
Conditions | Yield |
---|---|
With L-serin; serine C-palmitoyl transferase In aq. phosphate buffer; acetonitrile at 37℃; for 24h; pH=8; Enzymatic reaction; |
L-carnitine
S-palmitoyl-coenzyme A
L-Palmitoylcarnitine
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; |
S-palmitoyl-coenzyme A
Conditions | Yield |
---|---|
With nuclease P1 |
Conditions | Yield |
---|---|
With recombinant mouse His12-CGI-58 fusion protein at 30℃; for 0.166667h; pH=7.5; aq. buffer; Enzymatic reaction; |
S-(hydrogen malonyl)coenzyme A
S-palmitoyl-coenzyme A
A
5-n-pentadecylresorcinol
B
2,4-dihydroxy-6-pentadecanylbenzoic acid
Conditions | Yield |
---|---|
With alkylresorcylic acid synthase, ARAS1 at 30℃; for 0.333333h; pH=7; Kinetics; aq. phosphate buffer; Enzymatic reaction; |
bis(4-pyridyl) disulfide
N,N,N-trimethyl-N-(2-aminoethyl)ammonium
S-palmitoyl-coenzyme A
A
4-pyridinethione
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; |
Palmitoleoyl-Coenzyme A
S-palmitoyl-coenzyme A
B
hentriacont-7c-en-16-one
C
cis-9-hexadecenoic acid
D
1-hexadecylcarboxylic acid
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; |
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; |
S-palmitoyl-coenzyme A
decanoyl coenzyme A
A
1-decanoic acid
B
10-Nonadecanon
C
palmitone
D
Nonyl-pentadecyl-keton
E
1-hexadecylcarboxylic acid
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; |
S-palmitoyl-coenzyme A
A
lauric acid
B
laurone
C
palmitone
D
Undecyl-pentadecyl-keton
E
1-hexadecylcarboxylic acid
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; |
S-palmitoyl-coenzyme A
A
heptacosan-14-one
B
nonacosan-14-one
C
palmitone
D
n-tetradecanoic acid
E
1-hexadecylcarboxylic acid
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; |
Conditions | Yield |
---|---|
With Botrytis cinerea type III polyketide synthase Kinetics; Enzymatic reaction; |
Conditions | Yield |
---|---|
With Botrytis cinerea type III polyketide synthase Kinetics; Enzymatic reaction; |
Conditions | Yield |
---|---|
With Botrytis cinerea type III polyketide synthase Kinetics; Enzymatic reaction; |
S-(hydrogen malonyl)coenzyme A
S-palmitoyl-coenzyme A
A
6-(2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl)-4-hydroxy-2-pyrone
Conditions | Yield |
---|---|
With type III polyketide synthase Enzymatic reaction; |
S-(hydrogen malonyl)coenzyme A
S-palmitoyl-coenzyme A
A
C22H36O4
B
6-(2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl)-4-hydroxy-2-pyrone
Conditions | Yield |
---|---|
With type III polyketide synthase Enzymatic reaction; |
S-palmitoyl-coenzyme A
palmit-2,3-enoyl-CoA
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; |
Conditions | Yield |
---|---|
With L-serin In aq. buffer at 25℃; pH=8; Kinetics; Reagent/catalyst; Enzymatic reaction; |
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; |
Conditions | Yield |
---|---|
With N-acyltransferase Orf11 In aq. buffer at 25℃; for 6h; pH=9; Enzymatic reaction; |
S-(hydrogen malonyl)coenzyme A
(2RS)-methylmalonyl-CoA
S-palmitoyl-coenzyme A
Conditions | Yield |
---|---|
With recombinant Rhodospirillum polyketide synthase In aq. phosphate buffer at 30℃; for 1h; pH=8; Enzymatic reaction; |
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
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