CID 16131501
Dgtggtgggtgggtggg
Structural Information
- Molecular Formula
- C160H198N68O101P16
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=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)(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=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=C1N=C(NC2=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)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C160H198N68O101P16/c1-53-21-213(157(246)209-129(53)230)90-6-58(75(300-90)27-285-336(263,264)319-62-10-94(304-74(62)26-283-330(250,251)252)218-42-174-106-118(218)186-146(162)198-134(106)235)315-332(255,256)289-33-81-68(16-100(307-81)224-48-180-112-124(224)192-152(168)204-140(112)241)325-341(273,274)294-36-84-64(12-96(310-84)220-44-176-108-120(220)188-148(164)200-136(108)237)321-337(265,266)286-29-77-60(8-92(302-77)215-23-55(3)131(232)211-159(215)248)317-334(259,260)291-34-82-69(17-101(308-82)225-49-181-113-125(225)193-153(169)205-141(113)242)326-342(275,276)297-40-88-72(20-104(314-88)228-52-184-116-128(228)196-156(172)208-144(116)245)329-345(281,282)296-38-86-66(14-98(312-86)222-46-178-110-122(222)190-150(166)202-138(110)239)323-339(269,270)288-30-78-61(9-93(303-78)216-24-56(4)132(233)212-160(216)249)318-335(261,262)292-35-83-70(18-102(309-83)226-50-182-114-126(226)194-154(170)206-142(114)243)327-343(277,278)298-39-87-71(19-103(313-87)227-51-183-115-127(227)195-155(171)207-143(115)244)328-344(279,280)295-37-85-65(13-97(311-85)221-45-177-109-121(221)189-149(165)201-137(109)238)322-338(267,268)287-28-76-59(7-91(301-76)214-22-54(2)130(231)210-158(214)247)316-333(257,258)290-32-80-67(15-99(306-80)223-47-179-111-123(223)191-151(167)203-139(111)240)324-340(271,272)293-31-79-63(11-95(305-79)219-43-175-107-119(219)187-147(163)199-135(107)236)320-331(253,254)284-25-73-57(229)5-89(299-73)217-41-173-105-117(217)185-145(161)197-133(105)234/h21-24,41-52,57-104,229H,5-20,25-40H2,1-4H3,(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,209,230,246)(H,210,231,247)(H,211,232,248)(H,212,233,249)(H2,250,251,252)(H3,161,185,197,234)(H3,162,186,198,235)(H3,163,187,199,236)(H3,164,188,200,237)(H3,165,189,201,238)(H3,166,190,202,239)(H3,167,191,203,240)(H3,168,192,204,241)(H3,169,193,205,242)(H3,170,194,206,243)(H3,171,195,207,244)(H3,172,196,208,245)
- InChIKey
- QOGQCEZJIADNOX-UHFFFAOYSA-N
- Compound name
- [3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5183.8323 | 311.5 |
[M+Na]+ | 5205.8142 | 311.5 |
[M-H]- | 5181.8177 | 311.5 |
[M+NH4]+ | 5200.8588 | 311.5 |
[M+K]+ | 5221.7882 | 311.5 |
[M+H-H2O]+ | 5165.8223 | 311.5 |
[M+HCOO]- | 5227.8232 | 311.5 |
[M+CH3COO]- | 5241.8389 | 311.5 |
[M+Na-2H]- | 5203.7997 | 311.5 |
[M]+ | 5182.8245 | 311.5 |
[M]- | 5182.8255 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.