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121935-04-4 eicosapentaenoic acid-coenzyme a

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Product Name eicosapentaenoic acid-coenzyme A
CAS No. 121935-04-4
Synonyms Eicosapentaenoic acid-coenzyme A; Coenzyme A, eicosapentaenoic acid-; Eicosapentaenoic acid-coa; Epa-CoA; Coenzyme A, S-4,7,10,13,16-eicosapentaenoate, (all-E)-; S-{(9R)-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} (4E,7E,10E,13E,16E)-icosa-4,7,10,13,16-pentaenethioate (non-preferred name)
InChI InChI=1/C41H64N7O17P3S/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/h6-7,9-10,12-13,15-16,18-19,28-30,34-36,40,51-52H,4-5,8,11,14,17,20-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b7-6+,10-9+,13-12+,16-15+,19-18+/t30-,34-,35-,36+,40-/m1/s1
Molecular Formula C41H64N7O17P3S
Molecular Weight 1051.9698
Density 1.47g/cm3
Refractive index 1.619