L16m3

Structural Information

Molecular Formula

C₁₆₅H₂₀₆N₅₃O₁₁₃P₁₅

SMILES

COC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OC3C(OC(C3OC)N4C=NC5=C4N=C(NC5=O)N)COP(=O)(O)OC6C7C(OC6(CO7)COP(=O)(O)OC8C(OC(C8OC)N9C=CC(=O)NC9=O)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)CO)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=O)NC1=O)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C165H206N53O113P15/c1-270-96-87(225)63(302-129(96)205-27-16-77(220)192-154(205)235)33-286-332(240,241)318-93-68(307-135(102(93)276-7)216-59-183-84-123(216)197-145(174)200-126(84)226)38-291-338(252,253)330-117-110-143(214-57-181-82-119(172)177-55-179-121(82)214)315-164(117,46-284-110)53-299-343(262,263)322-92-67(306-134(101(92)275-6)208-30-19-80(223)195-157(208)238)37-290-335(246,247)327-114-107-140(211-25-14-75(170)190-152(211)233)313-162(114,44-282-107)51-297-345(266,267)323-94-69(308-136(103(94)277-8)217-60-184-85-124(217)198-146(175)201-127(85)227)39-292-337(250,251)328-115-108-141(212-26-15-76(171)191-153(212)234)311-160(115,42-280-108)49-295-341(258,259)319-89-65(304-131(98(89)272-3)203-21-10-71(166)186-148(203)229)35-288-336(248,249)329-116-109-142(213-31-20-81(224)196-158(213)239)314-163(116,45-283-109)52-296-342(260,261)320-90-64(303-132(99(90)273-4)204-22-11-72(167)187-149(204)230)34-287-333(242,243)326-113-106-139(210-24-13-74(169)189-151(210)232)312-161(113,43-281-106)50-298-346(268,269)324-95-70(309-137(104(95)278-9)218-61-185-86-125(218)199-147(176)202-128(86)228)40-293-339(254,255)331-118-111-144(215-58-182-83-120(173)178-56-180-122(83)215)316-165(118,47-285-111)54-300-344(264,265)321-91-66(305-133(100(91)274-5)207-29-18-79(222)194-156(207)237)36-289-334(244,245)325-112-105-138(209-23-12-73(168)188-150(209)231)310-159(112,41-279-105)48-294-340(256,257)317-88-62(32-219)301-130(97(88)271-2)206-28-17-78(221)193-155(206)236/h10-31,55-70,87-118,129-144,219,225H,32-54H2,1-9H3,(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(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)(H2,166,186,229)(H2,167,187,230)(H2,168,188,231)(H2,169,189,232)(H2,170,190,233)(H2,171,191,234)(H2,172,177,179)(H2,173,178,180)(H,192,220,235)(H,193,221,236)(H,194,222,237)(H,195,223,238)(H,196,224,239)(H3,174,197,200,226)(H3,175,198,201,227)(H3,176,199,202,228)

InChIKey

KNUUKYBIJBNBKZ-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[1-[[[2-[[[1-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[1-[[[2-[[[1-[[[2-[[[1-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[1-[[[2-[[[3-(4-amino-2-oxopyrimidin-1-yl)-1-[[[5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(6-aminopurin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(6-aminopurin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16186184