CID 16130813
G-g-g-g-g-t-g-g-g-t-g-g-g-t-g-g-g-t-c-c
Structural Information
- Molecular Formula
- C198H246N84O125P20
- 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)O)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=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=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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)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)O
- InChI
- InChI=1S/C198H246N84O125P20/c1-67-29-265(195(304)259-161(67)284)115-11-73(390-410(313,314)351-35-93-72(10-114(370-93)264-8-6-112(200)230-194(264)303)389-409(311,312)350-33-91-71(283)9-113(369-91)263-7-5-111(199)229-193(263)302)94(371-115)36-352-415(323,324)395-78-16-120(270-54-216-134-148(270)232-180(202)246-166(134)289)380-102(78)44-360-423(339,340)403-86-24-128(278-62-224-142-156(278)240-188(210)254-174(142)297)384-106(86)48-364-419(331,332)399-82-20-124(274-58-220-138-152(274)236-184(206)250-170(138)293)376-98(82)40-356-411(315,316)391-74-12-116(266-30-68(2)162(285)260-196(266)305)372-95(74)37-353-416(325,326)396-79-17-121(271-55-217-135-149(271)233-181(203)247-167(135)290)381-103(79)45-361-424(341,342)404-87-25-129(279-63-225-143-157(279)241-189(211)255-175(143)298)385-107(87)49-365-420(333,334)400-83-21-125(275-59-221-139-153(275)237-185(207)251-171(139)294)377-99(83)41-357-412(317,318)392-75-13-117(267-31-69(3)163(286)261-197(267)306)373-96(75)38-354-417(327,328)397-80-18-122(272-56-218-136-150(272)234-182(204)248-168(136)291)382-104(80)46-362-425(343,344)405-88-26-130(280-64-226-144-158(280)242-190(212)256-176(144)299)386-108(88)50-366-421(335,336)401-84-22-126(276-60-222-140-154(276)238-186(208)252-172(140)295)378-100(84)42-358-413(319,320)393-76-14-118(268-32-70(4)164(287)262-198(268)307)374-97(76)39-355-418(329,330)398-81-19-123(273-57-219-137-151(273)235-183(205)249-169(137)292)383-105(81)47-363-426(345,346)406-89-27-131(281-65-227-145-159(281)243-191(213)257-177(145)300)388-110(89)52-368-427(347,348)407-90-28-132(282-66-228-146-160(282)244-192(214)258-178(146)301)387-109(90)51-367-422(337,338)402-85-23-127(277-61-223-141-155(277)239-187(209)253-173(141)296)379-101(85)43-359-414(321,322)394-77-15-119(375-92(77)34-349-408(308,309)310)269-53-215-133-147(269)231-179(201)245-165(133)288/h5-8,29-32,53-66,71-110,113-132,283H,9-28,33-52H2,1-4H3,(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H2,199,229,302)(H2,200,230,303)(H,259,284,304)(H,260,285,305)(H,261,286,306)(H,262,287,307)(H2,308,309,310)(H3,201,231,245,288)(H3,202,232,246,289)(H3,203,233,247,290)(H3,204,234,248,291)(H3,205,235,249,292)(H3,206,236,250,293)(H3,207,237,251,294)(H3,208,238,252,295)(H3,209,239,253,296)(H3,210,240,254,297)(H3,211,241,255,298)(H3,212,242,256,299)(H3,213,243,257,300)(H3,214,244,258,301)
- InChIKey
- SIUISUUYICMBCW-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-[[[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-[[[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-(phosphonooxymethyl)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-(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]-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]-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] [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-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]+ | 6420.0303 | 311.5 |
[M+Na]+ | 6442.0122 | 311.5 |
[M-H]- | 6418.0157 | 311.5 |
[M+NH4]+ | 6437.0568 | 311.5 |
[M+K]+ | 6457.9862 | 311.5 |
[M+H-H2O]+ | 6402.0203 | 311.5 |
[M+HCOO]- | 6464.0212 | 311.5 |
[M+CH3COO]- | 6478.0369 | 311.5 |
[M+Na-2H]- | 6439.9977 | 311.5 |
[M]+ | 6419.0225 | 311.5 |
[M]- | 6419.0235 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.