Atagacactgcgcccatag

Structural Information

Molecular Formula

C₁₈₄H₂₃₃N₇₄O₁₁₂P₁₉

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(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)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=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C184H233N74O112P19/c1-73-35-246(182(273)237-165(73)260)127-23-83(103(341-127)46-323-375(285,286)355-79-19-123(242-12-6-116(187)225-178(242)269)337-99(79)42-319-383(301,302)364-88-28-132(251-65-215-141-151(193)203-59-209-157(141)251)346-107(88)50-326-377(289,290)357-81-21-125(244-14-8-118(189)227-180(244)271)338-100(81)43-320-384(303,304)365-89-29-133(252-66-216-142-152(194)204-60-210-158(142)252)349-110(89)53-330-389(313,314)370-94-34-138(258-72-222-148-164(258)232-175(200)236-171(148)266)352-113(94)56-333-388(311,312)367-91-31-135(254-68-218-144-154(196)206-62-212-160(144)254)348-109(91)52-329-380(295,296)359-84-24-128(247-36-74(2)166(261)238-183(247)274)342-104(84)47-324-382(299,300)362-86-26-130(344-96(86)39-315-371(276,277)278)249-63-213-139-149(191)201-57-207-155(139)249)361-381(297,298)332-55-112-93(33-137(351-112)257-71-221-147-163(257)231-174(199)235-170(147)265)369-386(307,308)322-45-102-82(22-126(340-102)245-15-9-119(190)228-181(245)272)358-378(291,292)331-54-111-92(32-136(350-111)256-70-220-146-162(256)230-173(198)234-169(146)264)368-385(305,306)321-44-101-78(18-122(339-101)241-11-5-115(186)224-177(241)268)354-374(283,284)317-40-97-77(17-121(335-97)240-10-4-114(185)223-176(240)267)353-373(281,282)318-41-98-80(20-124(336-98)243-13-7-117(188)226-179(243)270)356-376(287,288)327-51-108-90(30-134(347-108)253-67-217-143-153(195)205-61-211-159(143)253)366-387(309,310)325-48-105-85(25-129(343-105)248-37-75(3)167(262)239-184(248)275)360-379(293,294)328-49-106-87(27-131(345-106)250-64-214-140-150(192)202-58-208-156(140)250)363-372(279,280)316-38-95-76(259)16-120(334-95)255-69-219-145-161(255)229-172(197)233-168(145)263/h4-15,35-37,57-72,76-113,120-138,259H,16-34,38-56H2,1-3H3,(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H2,185,223,267)(H2,186,224,268)(H2,187,225,269)(H2,188,226,270)(H2,189,227,271)(H2,190,228,272)(H2,191,201,207)(H2,192,202,208)(H2,193,203,209)(H2,194,204,210)(H2,195,205,211)(H2,196,206,212)(H,237,260,273)(H,238,261,274)(H,239,262,275)(H2,276,277,278)(H3,197,229,233,263)(H3,198,230,234,264)(H3,199,231,235,265)(H3,200,232,236,266)

InChIKey

YTCJZKVTOHHJGP-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197286