5'-d(ggttttt)-3'-fi

Structural Information

Molecular Formula

C₉₁H₁₀₃N₂₁O₅₀P₆S

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8CO)N9C=NC1=C9N=C(NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N(/C=C(/C)\C(=O)N)C=O)N1C=C(C(=O)NC1=O)C)OC(=S)NC1=CC(=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C91H103N21O50P6S/c1-37(75(92)117)22-106(36-114)65-16-53(158-165(134,135)145-30-61-54(18-67(152-61)108-24-39(3)79(119)103-88(108)127)159-164(132,133)142-28-59-51(15-66(151-59)107-23-38(2)78(118)102-87(107)126)156-91(169)97-42-6-9-45(48(12-42)84(124)125)72-46-10-7-43(115)13-49(46)148-50-14-44(116)8-11-47(50)72)60(150-65)29-143-166(136,137)160-55-19-68(109-25-40(4)80(120)104-89(109)128)153-62(55)31-146-167(138,139)161-56-20-69(110-26-41(5)81(121)105-90(110)129)154-63(56)32-147-168(140,141)162-57-21-71(112-35-96-74-77(112)99-86(94)101-83(74)123)155-64(57)33-144-163(130,131)157-52-17-70(149-58(52)27-113)111-34-95-73-76(111)98-85(93)100-82(73)122/h6-14,22-26,34-36,51-71,113,115H,15-21,27-33H2,1-5H3,(H2,92,117)(H,97,169)(H,124,125)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,102,118,126)(H,103,119,127)(H,104,120,128)(H,105,121,129)(H3,93,98,100,122)(H3,94,99,101,123)/b37-22-/t51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+/m0/s1

InChIKey

QHGGZHIVMILWCV-AWCRKQIDSA-N

Compound name

5-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-[[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]-formylamino]-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxycarbothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Related CIDs

• CID 16729334