Gggtgggtgggt(r-glycerol)gggt

Structural Information

Molecular Formula

C₁₆₈H₂₀₈N₇₀O₁₀₂P₁₆S₂

SMILES

CC1=CN(C(=O)NC1=O)C[C@H](COP(=O)(O)O[C@H]2C[C@@H](O[C@@H]2COP(=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]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)O)S

InChI

InChI=1S/C168H208N70O102P16S2/c1-57-22-222(164(258)217-135(57)241)27-62(325-341(263,264)294-31-83-69(12-101(314-83)229-47-183-113-125(229)195-154(171)207-142(113)248)330-348(277,278)301-42-92-77(20-109(323-92)237-55-191-121-133(237)203-162(179)215-150(121)256)338-354(289,290)306-43-93-78(21-110(324-93)238-56-192-122-134(238)204-163(180)216-151(122)257)340-355(291,357)307-30-80-63(240)6-95(310-80)223-23-58(2)136(242)218-165(223)259)29-293-342(265,266)326-68-11-100(228-46-182-112-124(228)194-153(170)206-141(112)247)315-84(68)34-300-349(279,280)333-75-18-107(235-53-189-119-131(235)201-160(177)213-148(119)254)321-90(75)40-304-350(281,282)334-72-15-104(232-50-186-116-128(232)198-157(174)210-145(116)251)316-85(72)35-297-343(267,268)327-66-9-97(225-25-60(4)138(244)220-167(225)261)312-82(66)33-296-347(275,276)332-71-14-103(231-49-185-115-127(231)197-156(173)209-144(115)250)320-89(71)39-303-353(287,288)337-76-19-108(236-54-190-120-132(236)202-161(178)214-149(120)255)322-91(76)41-305-351(283,284)335-73-16-105(233-51-187-117-129(233)199-158(175)211-146(117)252)317-86(73)36-298-344(269,270)328-65-8-96(224-24-59(3)137(243)219-166(224)260)311-81(65)32-295-346(273,274)331-70-13-102(230-48-184-114-126(230)196-155(172)208-143(114)249)319-88(70)38-302-352(285,286)336-74-17-106(234-52-188-118-130(234)200-159(176)212-147(118)253)318-87(74)37-299-345(271,272)329-67-10-98(226-26-61(5)139(245)221-168(226)262)313-94(67)44-308-356(292,358)339-64-7-99(309-79(64)28-239)227-45-181-111-123(227)193-152(169)205-140(111)246/h22-26,45-56,62-110,239-240H,6-21,27-44H2,1-5H3,(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,357)(H,292,358)(H,217,241,258)(H,218,242,259)(H,219,243,260)(H,220,244,261)(H,221,245,262)(H3,169,193,205,246)(H3,170,194,206,247)(H3,171,195,207,248)(H3,172,196,208,249)(H3,173,197,209,250)(H3,174,198,210,251)(H3,175,199,211,252)(H3,176,200,212,253)(H3,177,201,213,254)(H3,178,202,214,255)(H3,179,203,215,256)(H3,180,204,216,257)/t62-,63?,64?,65+,66+,67?,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79?,80?,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94?,95?,96-,97-,98?,99?,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,355?,356?/m1/s1

InChIKey

WXBROFXOJFQYQE-AZZIKDANSA-N

Compound name

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R)-2-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 145999144
• CID 145999145