Hna11

Structural Information

Molecular Formula

C₁₅₉H₂₀₅N₆₂O₁₀₃P₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(OC2)COP(=O)(O)OC3CC(COC3COP(=O)(O)OC4CC(COC4COP(=O)(O)OC5C(OC(C5O)N6C=NC7=C(N=CN=C76)N)COP(=O)(O)OC8CC(COC8COP(=O)(O)OC9C(OC(C9O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(CO1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C159H205N62O103P15/c1-56-22-213(159(248)205-131(56)235)60-19-66(312-325(249,250)285-30-70-63(223)16-57(24-279-70)214-48-183-95-126(214)195-147(169)200-132(95)236)71(282-27-60)31-286-327(253,254)313-67-20-61(215-49-184-96-127(215)196-148(170)201-133(96)237)28-283-72(67)32-287-326(251,252)310-64-17-58(206-9-2-85(160)188-152(206)241)25-280-73(64)33-289-331(261,262)320-115-80(305-142(105(115)230)217-51-180-92-120(166)174-45-177-123(92)217)37-292-329(257,258)314-68-21-62(216-50-185-97-128(216)197-149(171)202-134(97)238)29-284-75(68)35-290-332(263,264)321-116-82(307-143(106(116)231)218-52-181-93-121(167)175-46-178-124(93)218)42-297-335(269,270)317-111-76(301-138(101(111)226)209-12-5-88(163)191-155(209)244)36-291-328(255,256)311-65-18-59(207-10-3-86(161)189-153(207)242)26-281-74(65)34-288-330(259,260)316-112-77(302-139(102(112)227)210-13-6-89(164)192-156(210)245)38-294-334(267,268)319-114-79(304-141(104(114)229)212-15-8-91(224)194-158(212)247)40-296-338(275,276)323-118-84(309-145(108(118)233)220-54-186-98-129(220)198-150(172)203-135(98)239)44-299-339(277,278)324-119-83(308-146(109(119)234)221-55-187-99-130(221)199-151(173)204-136(99)240)43-298-336(271,272)318-113-78(303-140(103(113)228)211-14-7-90(165)193-157(211)246)39-295-337(273,274)322-117-81(306-144(107(117)232)219-53-182-94-122(168)176-47-179-125(94)219)41-293-333(265,266)315-110-69(23-222)300-137(100(110)225)208-11-4-87(162)190-154(208)243/h2-15,22,45-55,57-84,100-119,137-146,222-223,225-234H,16-21,23-44H2,1H3,(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)(H2,160,188,241)(H2,161,189,242)(H2,162,190,243)(H2,163,191,244)(H2,164,192,245)(H2,165,193,246)(H2,166,174,177)(H2,167,175,178)(H2,168,176,179)(H,194,224,247)(H,205,235,248)(H3,169,195,200,236)(H3,170,196,201,237)(H3,171,197,202,238)(H3,172,198,203,239)(H3,173,199,204,240)

InChIKey

BXHRMNIVJDKRQJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133693