Coenzyme A, S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate | 17046-56-9

17046-56-9
Nome del prodotto:Coenzyme A, S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate
Numero CAS:17046-56-9
MF:C41H66N7O17P3S
CID:142924
PubChem ID:5497113
Inchiesta Fornitura

Nomi e identificatori

  • Coenzyme A,S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate
  • S-[2-[3-[[(2R)-4-[[[(2R,3R,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]
  • 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]ethy
  • 5Z,8Z,11Z,14Z-eicosatetraenonyl-CoA
  • arachidonyl-coenzyme A
  • coenzyme A arachidonoyl derivative
  • S-{17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate (non-preferred name)
  • arachidonoyl-CoA
  • S-[2-[3-[[(2R)-4-[[[(2R,3R,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] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate
  • Arachidonyl-CoA
  • Arachidonyl coenzyme A ester
  • Arachidonyl coenzyme A
  • Arachidonoyl coenzyme A
  • Arachidonoyl CoA
  • Coenzyme A, S-arachidonate (7CI,8CI)
  • Coenzyme A, S-5,8,11,14-eicosatetraenoate, (all-Z)-
  • Coenzyme A, S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate
  • all-cis-5,8,11,14-eicosatetraenoyl-CoA
  • all-cis-5,8,11,14-eicosatetraenoyl-CoA
  • Coenzyme A, S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate (9CI)
  • Coenzyme A, S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate (9CI)
  • all-cis-5,8,11,14-eicosatetraenoyl-coenzyme A
  • all-cis-5,8,11,14-eicosatetraenoyl-coenzyme A
  • Arachidonyl-coa
  • Arachidonyl-coa
  • arachidonoyl-coenzyme A
  • arachidonoyl-coenzyme A
  • C41-H66-N7-O17-P3-S
  • C41-H66-N7-O17-P3-S
  • (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-CoA
  • (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-CoA
  • C41H66N7O17P3S
  • C41H66N7O17P3S
  • CHEBI:15514
  • CHEBI:15514
  • Coenzyme A, S-arachidonate (7CI,8CI)
  • Coenzyme A, S-arachidonate (7CI,8CI)
  • cis-Delta(5,8,11,14)-eicosatetraenoyl-CoA
  • cis-Delta(5,8,11,14)-eicosatetraenoyl-CoA
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • hosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
  • hosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-
  • DTXSID201316709
  • DTXSID201316709
  • (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-coenzyme A
  • (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-coenzyme A
  • Coenzyme A, S-arachidonate
  • Coenzyme A, S-arachidonate
  • Arachidonyl coenzyme A ester
  • Arachidonyl coenzyme A ester
  • 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] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate
  • 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] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate
  • 5Z,8Z,11Z,14Z-eicosatetraenoyl-CoA
  • 5Z,8Z,11Z,14Z-eicosatetraenoyl-CoA
  • (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyl-coenzyme A
  • (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyl-coenzyme A
  • 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]p
  • 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]p
  • C02249
  • C02249
  • 20:4, arachidonyl-CoA
  • 20:4, arachidonyl-CoA
  • Q27089496
  • Q27089496
  • cis-Delta(5,8,11,14)-eicosatetraenoyl-coenzyme A
  • cis-Delta(5,8,11,14)-eicosatetraenoyl-coenzyme A
  • Arachidonoyl CoA
  • Arachidonoyl CoA
  • Arachidonoyl-CoA
  • Arachidonoyl-CoA
  • (5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA
  • (5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA
  • Arachidonoyl coenzyme A
  • Arachidonoyl coenzyme A
  • Arachidonyl coenzyme A
  • Arachidonyl coenzyme A
  • 17046-56-9
  • 17046-56-9
  • JDEPVTUUCBFJIW-YQVDHACTSA-N
  • JDEPVTUUCBFJIW-YQVDHACTSA-N
  • LMFA07050288
  • LMFA07050288
  • Coenzyme A, arachidonyl-
  • Coenzyme A, arachidonyl-
  • C20:4-CoA
  • C20:4-CoA
  • Arachidonyl-CoA
  • InChIKey:JDEPVTUUCBFJIW-VALPFLJOSA-N
  • Inchi:InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36?,40-/m1/s1
  • SMILES:CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(SCCNC(CCNC(C(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: 1053.34528
  • Conta donatori di obbligazioni idrogeno: 9
  • Conta accettatore di obbligazioni idrogeno: 22
  • Conta legami ruotabili: 34
  • Massa monoisotopica: 1053.34487583g/mol
  • Conta atomi pesanti: 69
  • Complessità: 1880
  • Conta atomi isotopi: 0
  • Conto di stereocentri atomici definito: 5
  • Conta stereocentri atomici non definiti: 0
  • Conto stereocentrico definito delle obbligazioni: 4
  • Conto stereocenter di bond non definito: 0
  • Conteggio di unità legate in modo Covalent: 1
  • XLogP3: 0.9
  • Superficie polare topologica: 389Ų

Proprietà sperimentali

  • PSA: 363.63