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Coenzyme A, S-hexadecanoate | 1763-10-6

1763-10-6
Nome del prodotto:Coenzyme A, S-hexadecanoate
Numero CAS:1763-10-6
MF:C37H62N7O17P3S-4
MW:1001.91128
CID:140932
PubChem ID:644109
Fornitura
Nomi e identificatori
  • 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
Proprietà chimiche e fisiche

Proprietà calcolate

  • Massa esatta: 1043.30000
  • Conta donatori di obbligazioni idrogeno: 9
  • Conta accettatore di obbligazioni idrogeno: 22
  • Conta legami ruotabili: 34
  • Massa monoisotopica: 1005.34487583g/mol
  • Conta atomi pesanti: 65
  • Complessità: 1620
  • Conta atomi isotopi: 0
  • Conto di stereocentri atomici definito: 5
  • Conta stereocentri atomici non definiti: 0
  • Conto stereocentrico definito delle obbligazioni: 0
  • Conto stereocenter di bond non definito: 0
  • Conteggio di unità legate in modo Covalent: 1
  • XLogP3: 1.7
  • Superficie polare topologica: 389Ų

Proprietà sperimentali

  • LogP: 5.94720
  • PSA: 421.19000
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