CID 16131571
5'-dctcccgggagggggggtcct-3'
Structural Information
- Molecular Formula
- C194H244N79O120P19
- 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)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C194H244N79O120P19/c1-71-36-260(192(295)251-163(71)276)120-16-74(275)95(356-120)40-336-394(298,299)376-76-18-122(255-11-5-115(196)226-187(255)290)357-96(76)41-338-396(302,303)378-78-20-124(257-13-7-117(198)228-189(257)292)361-100(78)45-342-401(312,313)382-82-24-128(262-38-73(3)165(278)253-194(262)297)363-102(82)47-343-402(314,315)384-84-26-130(264-61-215-141-153(264)231-176(202)241-166(141)279)367-106(84)51-347-406(322,323)388-88-30-134(268-65-219-145-157(268)235-180(206)245-170(145)283)371-110(88)55-351-409(328,329)391-91-33-137(271-68-222-148-160(271)238-183(209)248-173(148)286)373-112(91)57-353-411(332,333)393-93-35-139(273-70-224-150-162(273)240-185(211)250-175(150)288)374-113(93)58-354-412(334,335)392-92-34-138(272-69-223-149-161(272)239-184(210)249-174(149)287)372-111(92)56-352-410(330,331)390-90-32-136(270-67-221-147-159(270)237-182(208)247-172(147)285)370-109(90)54-350-407(324,325)387-87-29-133(267-64-218-144-156(267)234-179(205)244-169(144)282)366-105(87)50-346-403(316,317)383-83-25-129(263-60-214-140-151(201)212-59-213-152(140)263)364-103(83)48-344-404(318,319)385-86-28-132(266-63-217-143-155(266)233-178(204)243-168(143)281)368-107(86)52-348-408(326,327)389-89-31-135(269-66-220-146-158(269)236-181(207)246-171(146)284)369-108(89)53-349-405(320,321)386-85-27-131(265-62-216-142-154(265)232-177(203)242-167(142)280)365-104(85)49-345-399(308,309)380-80-22-126(259-15-9-119(200)230-191(259)294)359-98(80)43-340-397(304,305)377-77-19-123(256-12-6-116(197)227-188(256)291)358-97(77)42-339-398(306,307)379-79-21-125(258-14-8-118(199)229-190(258)293)360-99(79)44-341-400(310,311)381-81-23-127(261-37-72(2)164(277)252-193(261)296)362-101(81)46-337-395(300,301)375-75-17-121(355-94(75)39-274)254-10-4-114(195)225-186(254)289/h4-15,36-38,59-70,74-113,120-139,274-275H,16-35,39-58H2,1-3H3,(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H2,195,225,289)(H2,196,226,290)(H2,197,227,291)(H2,198,228,292)(H2,199,229,293)(H2,200,230,294)(H2,201,212,213)(H,251,276,295)(H,252,277,296)(H,253,278,297)(H3,202,231,241,279)(H3,203,232,242,280)(H3,204,233,243,281)(H3,205,234,244,282)(H3,206,235,245,283)(H3,207,236,246,284)(H3,208,237,247,285)(H3,209,238,248,286)(H3,210,239,249,287)(H3,211,240,250,288)
- InChIKey
- KUJGHHLGXLEOKA-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6189.0508 | 311.5 |
[M+Na]+ | 6211.0327 | 311.5 |
[M-H]- | 6187.0362 | 311.5 |
[M+NH4]+ | 6206.0773 | 311.5 |
[M+K]+ | 6227.0067 | 311.5 |
[M+H-H2O]+ | 6171.0408 | 311.5 |
[M+HCOO]- | 6233.0417 | 311.5 |
[M+CH3COO]- | 6247.0574 | 311.5 |
[M+Na-2H]- | 6209.0182 | 311.5 |
[M]+ | 6188.0430 | 311.5 |
[M]- | 6188.0440 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.