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Related Compounds
Coenzyme A, S-hexadecanoate | 1763-10-6
Nome do produto：Coenzyme A, S-hexadecanoate
N.o CAS：1763-10-6
MF：C37H62N7O17P3S-4
MW：1001.91128
CID：140932
PubChem ID：644109
Nomes e Identificadores
- Coenzyme A,S-hexadecanoate
- PALMITOYL COENZYME A POTASSIUM SALT
- Palmitoyl Coenzyme A, K salt
- coenzyme A palmitoyl derivative
- Coenzyme A S-palmitate
- Palmitoyl Coenzyme A
- PALMITOYL-COA
- Palmityl coenzyme A
- Palmityl-CoA
- S-palmitoylcoenzyme A
- S-Palmityl-CoA
- S-Palmityl coenzyme A
- Palmityl-CoA
- Palmityl coenzyme A
- Palmitoyl coenzyme A
- Palmitoyl CoA
- Hexadecanoyl-coenzyme A
- Hexadecanoyl-CoA
- Coenzyme A, palmitate (6CI)
- Coenzyme A, S-palmitate (7CI,8CI)
- Coenzyme A, S-hexadecanoate
- Palmitoyl coenzyme A potassium salt
- palmitoyl-CoA
- s-hexadecanoate CoA
- Coenzyme A, S-hexadecanoate (9CI)
- SCHEMBL366095
- hexadecanoyl CoA
- C00154
- palmitoyl coenzyme A
- S-Palmityl-CoA
- Coenzyme A, S-(hexadecanoate-9,10-t2) (9CI)
- 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(hexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
- (S)-palmitoyl-CoA
- s-hexadecanoic acid
- GTPL6765
- 1763-10-6
- Coenzyme A, palmitate (6CI)
- 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] hexadecanethioate
- S-Palmitoylcoenzyme A
- Palmityl-Coenzyme A
- C37H66N7O17P3S
- CHEBI:15525
- s-hexadecanoate Coenzyme A
- C37-H66-N7-O17-P3-S
- S-palmitoyl-coenzyme a
- Hexadecanoyl-coenzyme A
- palmityl-CoA
- palmityl-CoA
- S-Palmityl coenzyme A
- S-Palmityl coenzyme A
- palmitoyl-Coenzyme A
- palmitoyl-Coenzyme A
- LMFA07050360
- LMFA07050360
- Hexadecanoyl coenzyme A
- Hexadecanoyl coenzyme A
- MNBKLUUYKPBKDU-BBECNAHFSA-N
- MNBKLUUYKPBKDU-BBECNAHFSA-N
- palmitoyl CoA
- Coenzyme A, S-palmitate
- palmitoyl CoA
- D06VTW
- Coenzyme A, S-palmitate
- Q28797916
- D06VTW
- D06VTW
- Hexadecanoyl-CoA
- Q28797916
- Q28797916
- s-hexadecanoate
- Hexadecanoyl-CoA
- 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxohexadecyl)thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-r
- s-hexadecanoate
- Hexadecanoyl-CoA
- DTXSID701027137
- 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxohexadecyl)thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-r
- s-hexadecanoate
- palmitoyl coenzyme A
- (Acyl-CoA)
- [M+H]+
- DTXSID701027137
- 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxohexadecyl)thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-r
- DTXSID701027137
- palmitoyl coenzyme A
- (Acyl-CoA)
- [M+H]+
- palmitoyl coenzyme A
- (Acyl-CoA)
- [M+H]+
- MeSH ID: D010171
- Palmitoyl CoA
- Palmitoyl coenzyme A
- S-{(3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} hexadecanethioate (non-preferred name)
- CS-0857324
- HY-154922
- hexadecanoyl-CoA
- Coenzyme A
- Palmitoyl-CoA
- InChIKey：MNBKLUUYKPBKDU-BBECNAHFSA-J
- 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)/p-4/t26-,30-,31-,32+,36-/m1/s1
- SMILES：CCCCCCCCCCCCCCCC(SCCNC(CCNC([C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C=NC3=C(N=CN=C23)N)[C@H](O)[C@@H]1OP([O-])(=O)[O-])(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O
Propriedades químicas e físicas
Propriedades Computadas
- Massa Exacta: 1043.30000
- Contagem de dadores de ligações de hidrogénio: 9
- Contagem de aceitadores de ligações de hidrogénio: 22
- Contagem de Ligações Rotativas: 34
- Massa monoisotópica: 1005.34487583g/mol
- Contagem de Átomos Pesados: 65
- Complexidade: 1620
- Contagem de átomos isótopos: 0
- Contagem de Estereocentros Átomos Definidos: 5
- Contagem de Estereocentros Átomos Indefinidos: 0
- Contagem de Stereocenters de Obrigações Definidas: 0
- Contagem de Stereocenters Indefined Bond: 0
- Contagem de Unidades Ligadas Covalentemente: 1
- XLogP3: 1.7
- Superfície polar topológica: 389Ų
Propriedades Experimentais
- LogP: 5.94720
- PSA: 421.19000
Literatura Relacionada
- 1. Sphingolipid biosynthesis in man and microbes Peter J. Harrison,Teresa?M. Dunn,Dominic J. Campopiano Nat. Prod. Rep. 2018 35 921
- 2. The catalytic mechanism of S-acyltransferases: acylation is triggered on by a loose transition state and deacylation is turned off by a tight transition state Xia Wang,Grace Mercure Bakanina Kissanga,E. Li,Qiang Li,Jianzhuang Yao Phys. Chem. Chem. Phys. 2019 21 12163
- 3. Specificity of acyl-CoA binding protein to acyl-CoAs: influence on the lipid metabolism in Aspergillus oryzae Yunping Yao,Changsheng Ouyang,Lu Jiang,Xiaoguang Liu,Qing Hao,Guozhong Zhao,Bin Zeng RSC Adv. 2016 6 94859
- 4. Insights into auto-S-fatty acylation: targets, druggability, and inhibitors Lu Hu,Zhipeng Tao,Xu Wu RSC Chem. Biol. 2021 2 1567
- 5. Inhibition of the PLP-dependent enzyme serine palmitoyltransferase by cycloserine: evidence for a novel decarboxylative mechanism of inactivation Jonathan Lowther,Beverley A. Yard,Kenneth A. Johnson,Lester G. Carter,Venugopal T. Bhat,Marine C. C. Raman,David J. Clarke,Britta Ramakers,Stephen A. McMahon,James H. Naismith,Dominic J. Campopiano Mol. BioSyst. 2010 6 1682
- 6. The Botrytis cinerea type III polyketide synthase shows unprecedented high catalytic efficiency toward long chain acyl-CoAs Marimuthu Jeya,Tae-Su Kim,Manish Kumar Tiwari,Jinglin Li,Huimin Zhao,Jung-Kul Lee Mol. BioSyst. 2012 8 2864
- 7. Chromatographic methods for the determination of acyl-CoAs Luis G. Rivera,Michael G. Bartlett Anal. Methods 2018 10 5252
- 8. l-Penicillamine is a mechanism-based inhibitor of serine palmitoyltransferase by forming a pyridoxal-5′-phosphate-thiazolidine adduct Jonathan Lowther,Ashley E. Beattie,Pat R. R. Langridge-Smith,David J. Clarke,Dominic J. Campopiano Med. Chem. Commun. 2012 3 1003
- 9. Biologically generated carbon dioxide: nature's versatile chemical strategies for carboxy lyases Christopher T. Walsh Nat. Prod. Rep. 2020 37 100
- 10. Biologically generated carbon dioxide: nature's versatile chemical strategies for carboxy lyases Christopher T. Walsh Nat. Prod. Rep. 2020 37 100
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