12 tar 1xome/11xtricyclo-dna fam

Structural Information

Molecular Formula

C₁₆₉H₁₈₁N₄₂O₇₇P₁₁

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O[C@]56C[C@@H]7C[C@@]7([C@H]5O[C@H](C6)N8C=CC(=NC8=O)N)O)OP(=O)(O)O[C@]91C[C@H]9C[C@]2([C@@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H](C1)N1C=CC(=NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)OC)OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(C=C(C=C2)O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C169H181N42O77P11/c1-67-58-206(145(226)198-119(67)214)102-53-153(31-76-42-164(76,132(153)261-102)279-290(231,232)269-147-25-70-36-158(70,228)126(147)255-96(47-147)200-16-10-90(170)188-139(200)220)275-296(243,244)283-162-40-74(162)29-150(50-99(259-130(150)162)203-19-13-93(173)191-142(203)223)271-292(235,236)281-160-38-72(160)27-149(49-98(257-128(149)160)202-18-12-92(172)190-141(202)222)270-291(233,234)282-161-39-73(161)28-152(52-101(258-129(152)161)205-21-15-95(175)193-144(205)225)273-294(239,240)286-166-44-78(166)33-155(55-104(263-134(155)166)208-63-184-107-113(176)180-61-182-115(107)208)276-297(245,246)287-167-45-79(167)35-157(57-106(265-136(157)167)210-65-187-110-118(210)195-138(179)197-122(110)217)278-299(249,250)288-168-46-80(168)34-156(56-105(264-135(156)168)209-64-186-109-117(209)194-137(178)196-121(109)216)277-298(247,248)284-163-41-75(163)30-151(51-100(260-131(151)163)204-20-14-94(174)192-143(204)224)272-293(237,238)285-165-43-77(165)32-154(54-103(262-133(154)165)207-59-68(2)120(215)199-146(207)227)274-295(241,242)280-159-37-71(159)26-148(48-97(256-127(148)159)201-17-11-91(171)189-140(201)221)268-289(229,230)252-60-89-111(112(251-3)123(254-89)211-66-185-108-114(177)181-62-183-116(108)211)266-124(218)69-4-7-83-86(22-69)169(267-125(83)219)84-8-5-81(212)23-87(84)253-88-24-82(213)6-9-85(88)169/h4-24,58-59,61-66,70-80,89,96-106,111-112,123,126-136,212-213,228H,25-57,60H2,1-3H3,(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H2,170,188,220)(H2,171,189,221)(H2,172,190,222)(H2,173,191,223)(H2,174,192,224)(H2,175,193,225)(H2,176,180,182)(H2,177,181,183)(H,198,214,226)(H,199,215,227)(H3,178,194,196,216)(H3,179,195,197,217)/t70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,89-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,123-,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-/m1/s1

InChIKey

MHYNFSOLMZLRHJ-HATYNPCJSA-N

Compound name

[(2R,3R,4R,5R)-2-[[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-8-(2-amino-6-oxo-1H-purin-9-yl)-2-[[(1S,2R,4S,6S,8R)-8-(2-amino-6-oxo-1H-purin-9-yl)-2-[[(1S,2R,4S,6S,8R)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(1S,2R,4S,6S,8R)-2-[[(1R,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(6-aminopurin-9-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl] 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Related CIDs

• CID 49768298