Dn17ac

Structural Information

Molecular Formula

C₁₆₇H₂₁₁N₆₁O₁₀₁P₁₆

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7CO)N8C=CC(=NC8=O)N)N9C=NC1=C(N=CN=C19)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=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)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C167H211N61O101P16/c1-66-30-215(162(243)206-147(66)231)113-17-76(317-334(257,258)283-38-91-74(15-111(299-91)213-11-8-107(169)198-160(213)241)315-332(253,254)286-41-94-80(21-117(302-94)219-34-70(5)151(235)210-166(219)247)322-339(267,268)295-51-104-87(28-124(312-104)227-64-195-132-145(227)201-157(177)204-154(132)238)328-344(277,278)293-47-100-82(23-119(308-100)221-58-189-126-134(171)179-53-184-139(126)221)323-330(249,250)281-37-90-72(230)13-109(298-90)226-63-194-131-144(226)200-156(176)203-153(131)237)98(306-113)45-290-341(271,272)325-85-26-122(224-61-192-129-137(174)182-56-187-142(129)224)310-102(85)49-292-342(273,274)327-86-27-123(225-62-193-130-138(175)183-57-188-143(130)225)309-101(86)48-291-338(265,266)321-81-22-118(220-35-71(6)152(236)211-167(220)248)305-97(81)44-289-337(263,264)320-79-20-116(218-33-69(4)150(234)209-165(218)246)304-96(79)43-288-336(261,262)319-78-19-115(217-32-68(3)149(233)208-164(217)245)303-95(78)42-287-335(259,260)318-77-18-114(216-31-67(2)148(232)207-163(216)244)301-93(77)40-285-333(255,256)316-75-16-112(214-12-9-108(170)199-161(214)242)300-92(75)39-284-340(269,270)324-84-25-121(223-60-191-128-136(173)181-55-186-141(128)223)311-103(84)50-294-345(279,280)329-88-29-125(228-65-196-133-146(228)202-158(178)205-155(133)239)313-105(88)52-296-343(275,276)326-83-24-120(222-59-190-127-135(172)180-54-185-140(127)222)307-99(83)46-282-331(251,252)314-73-14-110(297-89(73)36-229)212-10-7-106(168)197-159(212)240/h7-12,30-35,53-65,72-105,109-125,229-230H,13-29,36-52H2,1-6H3,(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(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)(H2,168,197,240)(H2,169,198,241)(H2,170,199,242)(H2,171,179,184)(H2,172,180,185)(H2,173,181,186)(H2,174,182,187)(H2,175,183,188)(H,206,231,243)(H,207,232,244)(H,208,233,245)(H,209,234,246)(H,210,235,247)(H,211,236,248)(H3,176,200,203,237)(H3,177,201,204,238)(H3,178,202,205,239)

InChIKey

QFQGIVVGGJRUML-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16186162