S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda⁵,5lambda⁵-diphosphaheptadecan -17-yl} (5Z,8Z)-5,8-tetradecadienethioate
[CAS# 68134-76-9]

Identification

• Name: S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda⁵,5lambda⁵-diphosphaheptadecan -17-yl} (5Z,8Z)-5,8-tetradecadienethioate
• Synonyms: `cis`,`cis`-myristo-5,8-dienoyl-coa
• Molecular Formula: C₃₅H₅₈N₇O₁₇P₃S
• Molecular Weight: 973.86
• CAS Registry Number: 68134-76-9
• SMILES: CCCCC\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC3OC(n2cnc1c(N)ncnc12)C(O)C3OP(O)(O)=O
• InChI: 1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b9-8-,12-11-
• InChIKey: MJBZUCVXTFUVFY-MURFETPASA-N

Properties

• Density: 1.577g/cm³ (Cal.)