Schembl30603678

Structural Information

Molecular Formula

C₁₆₆H₂₀₉N₆₅O₁₀₁P₁₆

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C166H209N65O101P16/c1-63-30-219(163(248)211-143(63)234)109-14-68(84(34-232)300-109)317-334(254,255)285-36-86-69(15-106(302-86)216-10-6-102(168)196-160(216)245)318-335(256,257)294-45-95-80(26-118(311-95)228-59-191-127-139(228)201-155(176)207-149(127)240)330-346(278,279)293-44-94-77(23-115(310-94)225-56-188-124-133(173)182-53-185-136(124)225)326-344(274,275)297-48-98-83(29-121(314-98)231-62-194-130-142(231)204-158(179)210-152(130)243)332-348(282,283)299-50-100-78(24-116(316-100)226-57-189-125-137(226)199-153(174)205-147(125)238)327-342(270,271)289-40-90-73(19-111(306-90)221-32-65(3)145(236)213-165(221)250)322-338(262,263)286-37-87-70(16-107(303-87)217-11-7-103(169)197-161(217)246)319-336(258,259)295-46-96-81(27-119(312-96)229-60-192-128-140(229)202-156(177)208-150(128)241)329-345(276,277)292-43-93-75(21-113(309-93)223-54-186-122-131(171)180-51-183-134(122)223)324-340(266,267)287-38-88-71(17-108(304-88)218-12-8-104(170)198-162(218)247)320-337(260,261)296-47-97-82(28-120(313-97)230-61-193-129-141(230)203-157(178)209-151(129)242)331-347(280,281)298-49-99-79(25-117(315-99)227-58-190-126-138(227)200-154(175)206-148(126)239)328-343(272,273)290-41-91-74(20-112(307-91)222-33-66(4)146(237)214-166(222)251)323-339(264,265)291-42-92-76(22-114(308-92)224-55-187-123-132(172)181-52-184-135(123)224)325-341(268,269)288-39-89-72(18-110(305-89)220-31-64(2)144(235)212-164(220)249)321-333(252,253)284-35-85-67(233)13-105(301-85)215-9-5-101(167)195-159(215)244/h5-12,30-33,51-62,67-100,105-121,232-233H,13-29,34-50H2,1-4H3,(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H2,167,195,244)(H2,168,196,245)(H2,169,197,246)(H2,170,198,247)(H2,171,180,183)(H2,172,181,184)(H2,173,182,185)(H,211,234,248)(H,212,235,249)(H,213,236,250)(H,214,237,251)(H3,174,199,205,238)(H3,175,200,206,239)(H3,176,201,207,240)(H3,177,202,208,241)(H3,178,203,209,242)(H3,179,204,210,243)

InChIKey

RCWATVFPGVSEBW-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]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-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16130365