CID 16130186
5'- ampampt tct gmpaa aat gga tampa mpa
Structural Information
- Molecular Formula
- C194H244N78O102P18
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OC3CC(OC3COP(=O)(C)OC4CC(OC4CO)N5C=NC6=C(N=CN=C65)N)N7C=NC8=C(N=CN=C87)N)OP(=O)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)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=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C194H244N78O102P18/c1-79-32-255(190(284)249-178(79)275)125-20-91(107(341-125)41-323-378(9,292)359-87-16-132(263-69-232-145-158(199)212-59-222-168(145)263)346-105(87)39-321-376(7,290)357-85-14-130(338-103(85)37-273)261-67-230-143-156(197)210-57-220-166(143)261)363-383(300,301)329-47-113-94(23-128(343-113)258-35-82(4)181(278)252-193(258)287)366-384(302,303)327-45-111-90(19-124(340-111)254-12-11-122(195)242-189(254)283)362-382(298,299)328-46-112-92(21-126(342-112)256-33-80(2)179(276)250-191(256)285)365-381(296,297)326-44-110-89(18-139(350-110)270-76-239-152-175(270)243-186(206)246-183(152)280)361-379(10,293)324-42-108-96(25-134(348-108)265-71-234-147-160(201)214-61-224-170(147)265)368-386(306,307)332-50-116-99(28-137(351-116)268-74-237-150-163(204)217-64-227-173(150)268)371-389(312,313)334-52-118-100(29-138(353-118)269-75-238-151-164(205)218-65-228-174(151)269)372-390(314,315)333-51-117-97(26-135(352-117)266-72-235-148-161(202)215-62-225-171(148)266)369-388(310,311)331-49-115-95(24-129(345-115)259-36-83(5)182(279)253-194(259)288)367-385(304,305)336-54-120-101(30-140(355-120)271-77-240-153-176(271)244-187(207)247-184(153)281)374-392(318,319)337-55-121-102(31-141(356-121)272-78-241-154-177(272)245-188(208)248-185(154)282)373-391(316,317)335-53-119-98(27-136(354-119)267-73-236-149-162(203)216-63-226-172(149)267)370-387(308,309)330-48-114-93(22-127(344-114)257-34-81(3)180(277)251-192(257)286)364-380(294,295)325-43-109-88(17-133(349-109)264-70-233-146-159(200)213-60-223-169(146)264)360-377(8,291)322-40-106-86(15-131(347-106)262-68-231-144-157(198)211-58-221-167(144)262)358-375(6,289)320-38-104-84(274)13-123(339-104)260-66-229-142-155(196)209-56-219-165(142)260/h11-12,32-36,56-78,84-121,123-141,273-274H,13-31,37-55H2,1-10H3,(H,294,295)(H,296,297)(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)(H2,195,242,283)(H2,196,209,219)(H2,197,210,220)(H2,198,211,221)(H2,199,212,222)(H2,200,213,223)(H2,201,214,224)(H2,202,215,225)(H2,203,216,226)(H2,204,217,227)(H2,205,218,228)(H,249,275,284)(H,250,276,285)(H,251,277,286)(H,252,278,287)(H,253,279,288)(H3,206,243,246,280)(H3,207,244,247,281)(H3,208,245,248,282)
- InChIKey
- LLEUDARYTJLUNY-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)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] [5-(6-aminopurin-9-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5856.1653 | 311.5 |
[M+Na]+ | 5878.1472 | 311.5 |
[M-H]- | 5854.1507 | 311.5 |
[M+NH4]+ | 5873.1918 | 311.5 |
[M+K]+ | 5894.1212 | 311.5 |
[M+H-H2O]+ | 5838.1553 | 311.5 |
[M+HCOO]- | 5900.1562 | 311.5 |
[M+CH3COO]- | 5914.1719 | 311.5 |
[M+Na-2H]- | 5876.1327 | 311.5 |
[M]+ | 5855.1575 | 311.5 |
[M]- | 5855.1585 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.